Compound - Results

Cocaine

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Information Structure
Name Cocaine
Synonyms
(1R,2R,3S,5S)-2-Methoxycarbonyltropan-3-yl Benzoate
1-alpha-H,5-alpha-H-Tropane-2-beta-carboxylic Acid, 3-beta-hydroxy-, Methyl Ester, Benzoate
1-Cocaine
2-beta-Carbomethoxy-3-beta-benzoxytropane
2-beta-Tropanecarboxylic Acid, 3-beta-hydroxy-, Methyl Ester, Benzoate (ester)
2beta-Carbomethoxy-3beta-benzoxytropane
3-(Benzoyloxy)-8-methyl-8-azabicyclo-(3.2.1)octane-2-carboxylic Acid Methyl Ether
3-Tropanylbenzoate-2-carboxylic Acid Methyl Ester
3beta-Hydroxy-1alphaH,5alphaH-tropane-2beta-carboxylic Acid Methyl Ester Benzoate
8-Azabicyclo(3.2.1)octane-2-carboxylic Acid, 3-(benzoyloxy)-8-methyl-, Methyl Ester, (1R-(exo,exo))-
Benzoylmethylecgonine
Bernice
Bernies
Blow
Burese
C Carrie
Cecil
Cholly
Cocaina
Cocaine
Cocaine, L-
Coke
Corine
Dama Blanca
Ecgonine, Methyl Ester, Benzoate (ester)
EINECS 200-032-7
Eritroxilina
Erytroxylin
Flake
Girl
Gold Dust
Green Gold
Happy Dust
Happy Trails
Her
HSDB 6469
Jam
Kokain
Kokan
Kokayeen
L-Cocaine
Lady
Leaf
Methyl 3-beta-hydroxy-1-alpha-H,5-alpha-H-tropane-2-beta-carboxylate Benzoate (ester)
Methyl 3beta-hydroxy-1alphaH,5alphaH-tropane-2beta-carboxylate Benzoate (ester)
Methyl Benzoylecgonine
Neurocaine
Nose Candy
Pimps Drug
Rock
Snow
Star Dust
Star-spangled Powder
Toot
White Girl Or Lady
ATC N01BC01
R02AD03
S01HA01
S02DA02
CID 446220
CAS 000050362
SMILES COC(=O)[C@H]1[C@H](C[C@H]2CC[C@@H]1N2C)OC(=O)C3=CC=CC=C3
Formula C17H21NO4
Molweight 303.353
Atoms 26
LogP 1.8056
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 5
CYP interactions
NameRelationsReferences
1A1Inducer 11856816
1A2Inducer 8617431
2A6Inducer 7654131
2A13Inducer 7654131
2C8Inhibitor 16188404
2C9Inhibitor 16188404
2D6Substrate Inhibitor 1857341
17574934
2J2Inducer 11856816
3A4Substrate Inhibitor Inducer 8617431
medicine.iupui.edu/flockhart
umm
8265621
8488174
11996015
11131030
3A5Substrate Inducer medicine.iupui.edu/flockhart
8617431
3A7Substrate medicine.iupui.edu/flockhart
Phase2 interactions
NameReferences
GST 7931884
MET 9231750
NAT 9774220,
2287649
Transporter
AC-No.NameReferences
A2RUN4Dopamine transporter 9427328
P23975NET 12514195
Q01959Sodium-dependent dopamine transporter 12130707
Q05940Synaptic vesicular amine transporter 2508148
Oxybuprocaine

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Information Structure
Name Oxybuprocaine
Synonyms
2-(Diethylamino)ethyl 4-amino-3-butoxybenzoate
4-14-00-02076 (Beilstein Handbook Reference)
4-Amino-3-butoxy-2-(diethylamino)ethyl Ester Benzoic Acid
4-Amino-3-n-butoxy-benzoesaeure-diaethylaminoaethylester
Benoxil
Benoxinate
BRN 2288926
Butoxyaminobenzoyldiethylaminoethanol
Conjucain
Novesinol
Oxibuprocaina
Oxibuprocainum
Oxibuprokain
Oxybucaine
Oxybuprocain
Oxybuprocaine
Oxybuprocainum
Oxyriprocaine
Prescaina
S 749
ATC D04AB03
N01BA06
S01HA02
CID 4633
CAS 000099434
Drugbank ID DB00892
TTD Drug ID DAP001231
SMILES CCCCOC1=C(N)C=CC(=C1)C(=O)OCCN(CC)CC
Formula C17H28N2O3
Molweight 308.416
Atoms 22
LogP 3.5275
Rotatable Bonds 11
H-Bond Donors 0
H-Bond Acceptors 5
Transporter
AC-No.NameReferences
A2RUN4Dopamine transporter 9427328
P23975NET 12514195
Q01959Sodium-dependent dopamine transporter 12130707
Q05940Synaptic vesicular amine transporter 2508148
Tetracaine

Java required.


Information Structure
Name Tetracaine
Synonyms
2-(Dimethylamino)ethyl P-(butylamino)benzoate
2-Dimethylaminoethylester Kyseliny P-butylaminobenzoove
4-14-00-01172 (Beilstein Handbook Reference)
Amethocaine
Anetain
Benzoic Acid, 4-(butylamino)-, 2-(dimethylamino)ethyl Ester
BRN 2216051
Contralgin
Diaethylaminoaethanol Ester Der P-butylaminobenzoesaeure
Dicain
Dicaine
Dikain
Dimethylaminoethyl P-butyl-aminobenzoate
EINECS 202-316-6
Fissucain
Intercain
Laudocaine
Medicaine
Medihaler-Tetracaine
Meethobalm
Metraspray
Mucaesthin
Niphanoid
p-(Butylamino)benzoic Acid, 2-(dimethylamino)ethyl Ester
p-Butylaminobenzoyl-2-dimethylaminoethanol
Pontocaine
Rexocaine
Tetracaina
Tetracaine
Tetracainum
Tetrakain
Uromucaesthin
ATC C05AD02
D04AB06
N01BA03
S01HA03
CID 5411
CAS 000094246
TTD Drug ID DNC001621
SMILES CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C
Formula C15H24N2O2
Molweight 264.363
Atoms 19
LogP 2.69
Rotatable Bonds 9
H-Bond Donors 0
H-Bond Acceptors 4
Transporter
AC-No.NameReferences
A2RUN4Dopamine transporter 9427328
P23975NET 12514195
Q01959Sodium-dependent dopamine transporter 12130707
Q05940Synaptic vesicular amine transporter 2508148
Proxymetacaine

Java required.


Information Structure
Name Proxymetacaine
Synonyms
2-(Diethylamino)ethyl 3-amino-4-propoxybenzoate
3-Amino-4-propoxybenzoic Acid 2-(diethylamino)ethyl Ester
4-14-00-02092 (Beilstein Handbook Reference)
beta-(Diethylamino)ethyl 4-n-propoxybenzoate
BRN 2745891
EINECS 207-884-9
Ophthaine
Proparacaine
Prossimetacaina
Proximetacaina
Proximetacainum
Proxymetacaine
Proxymetacainum
ATC S01HA04
CID 4935
CAS 000499672
Drugbank ID DB00807
TTD Drug ID DAP000513
SMILES CCCOC1=C(N)C=C(C=C1)C(=O)OCCN(CC)CC
Formula C16H26N2O3
Molweight 294.389
Atoms 21
LogP 3.1374
Rotatable Bonds 10
H-Bond Donors 0
H-Bond Acceptors 5
Transporter
AC-No.NameReferences
A2RUN4Dopamine transporter 9427328
P23975NET 12514195
Q01959Sodium-dependent dopamine transporter 12130707
Q05940Synaptic vesicular amine transporter 2508148
Procaine

Java required.


Information Structure
Name Procaine
Synonyms
2-Diethylaminoethyl 4-aminobenzoate
2-Diethylaminoethyl P-aminobenzoate
2-Diethylaminoethylester Kyseliny P-aminobenzoove
4-14-00-01138 (Beilstein Handbook Reference)
4-Aminobenzoesaeure-beta-diethylaminoethylester
4-Aminobenzoic Acid Diethylaminoethyl Ester
Benzoic Acid, 4-amino-, 2-(diethylamino)ethyl Ester
Benzoic Acid, P-amino-, 2-(diethylamino)ethyl Ester
beta-Diethylaminoethyl 4-aminobenzoate
BRN 0913480
Diethylaminoethyl P-aminobenzoate
Duracaine
EINECS 200-426-9
Factor H3
HSDB 3388
Nissocaine
NSC 169497
p-Aminobenzoic Acid 2-diethylaminoethyl Ester
p-Aminobenzoyldiethylaminoethanol
Procain
Procaina
Procaine
Procaine, Base
Procainum
Spinocaine
Stoff H3
Vitamin H3
ATC C05AD05
N01BA02
S01HA05
CID 4914
CAS 000059461
Drugbank ID DB00721
TTD Drug ID DAP000296
SMILES CCN(CC)CCOC(=O)C1=CC=C(N)C=C1
Formula C13H20N2O2
Molweight 236.31
Atoms 17
LogP 2.3486
Rotatable Bonds 7
H-Bond Donors 0
H-Bond Acceptors 4
Transporter
AC-No.NameReferences
A2RUN4Dopamine transporter 10685879
Cinchocaine

Java required.


Information Structure
Name Cinchocaine
Synonyms
2-Butoxy-N-(2-(diethylamino)ethyl)cinchoninamide
2-Butoxy-N-(beta-diethylaminoethyl)cinchoninamide
2-Butoxyquinoline-4-carboxylic Acid Diethylaminoethylamide
2-N-Butoxy-N-(2-diethylaminoethyl)cinchoninamide
4-22-00-02284 (Beilstein Handbook Reference)
4-Quinolinecarboxamide, 2-butoxy-N-(2-(diethylamino)ethyl)-
alpha-Butyloxycinchonic Acid-gamma-diethylethylenediamine
alpha-Butyloxycinchoninic Acid Diethylethylenediamide
BRN 0275489
Cincainum
Cinchocaine
Cinchocainum
Cinchoninamide, 2-butoxy-N-(2-(diethylamino)ethyl)-
Cincocaina
Cincocainio
Dermacaine
Dibucain
Dibucaine
Dibucaine Base
Dibucainum
EINECS 201-632-1
HSDB 3312
N-(2-(Diethylamino)ethyl)-2-butoxycinchoninamide
NSC 159055
Nupercainal
Nupercainal (VAN)
Nupercaine
Percamine
Sovcaine
ATC C05AD04
D04AB02
N01BB06
S01HA06
S02DA04
CID 3025
CAS 000085790
Drugbank ID DB00527
TTD Drug ID DAP000507
SMILES CCCCOC1=CC(C(=O)NCCN(CC)CC)=C2C=CC=CC2=N1
Formula C20H29N3O2
Molweight 343.463
Atoms 25
LogP 3.8762
Rotatable Bonds 11
H-Bond Donors 0
H-Bond Acceptors 5
Transporter
AC-No.NameReferences
A2RUN4Dopamine transporter 10685879
Lidocain

Java required.


Information Structure
Name Lidocain
Synonyms
2,6-Acetoxylidide, 2-(diethylamino)-
2-(Diethylamino)-2,6-acetoxylidide
2-(Diethylamino)-N-(2,6-dimethylphenyl)acetamide
4-12-00-02538 (Beilstein Handbook Reference)
Acetamide, 2-(diethylamino)-N-(2,6-dimethylphenyl)-
alfa-Dietilamino-2,6-dimetilacetanilide
alpha-Diethylamino-2,6-dimethylacetanilide
Anestacon
BRN 2215784
Cappicaine
Cito Optadren
Diethylaminoaceto-2,6-xylidide
Duncaine
EINECS 205-302-8
Esracaine
Gravocain
HSDB 3350
Isicaina
Isicaine
L-Caine
Leostesin
Lida-Mantle
Lidocain
Lidocaina
Lidocaine
Lidocaine (VAN)
Lidocainum
Lignocaine
Lignocainum
Maricaine
NSC 40030
Rucaina
Solcain
Xilina
Xilocaina
Xllina
Xycaine
Xylestesin
Xylocain
Xylocaine
Xylocitin
Xyloneural (free Base)
Xylotox
ATC A01AE01
C05AD01
D04AB01
N01BB02
R02AD02
S01HA07
S02DA01
C01BB01
CID 3676
CAS 000137586
Drugbank ID DB00281
TTD Drug ID DAP000121
SMILES CCN(CC)CC(=O)NC1=C(C)C=CC=C1C
Formula C14H22N2O
Molweight 234.337
Atoms 17
LogP 2.6567
Rotatable Bonds 6
H-Bond Donors 0
H-Bond Acceptors 3
CYP interactions
NameRelationsReferences
1A2Substrate Inhibitor 10901707
umm
14749694
10510747
10215663
9806111
15447735
10215663
2A6Substrate 8866826
11996015
umm
2B6Substrate umm
8866826
2C8Substrate umm
8866826
11996015
2C9Substrate umm
8578767
8866826
2C18Substrate 8866826
11996015
2D6Substrate Inhibitor medicine.iupui.edu/flockhart
8565792
umm
8068867
8250975
8516899
9143866
3A4Substrate Inhibitor 10901707
10901707
umm
9831966
3A5Substrate medicine.iupui.edu/flockhart
3A7Substrate medicine.iupui.edu/flockhart
Phase2 interactions
NameReferences
MET 7716464
Transporter
AC-No.NameReferences
P52569Low affinity cationic amino acid transporter 2 16717319
Q00325SLC25A3 676767
Extrarenal fraction 0.9
Elimination half-life 2h