Compound - Results

Timolol

Java required.


Information Structure
Name Timolol
Synonyms
(-)-3-Morpholino-4-(3-tert-butylamino-2-hydroxypropoxy)-1,2,5-thiadiazole
(S)-1-(1,1-(Dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-2-propanol
Blocadren
EINECS 248-032-6
HSDB 6533
Istalol
S-(-)-3-(3-tert-Butylamino-2-hydroxypropoxy)-4-morpholino-1,2,5-thiadiazole
Timolol
Timololum
Timopic
ATC C07AA06
S01ED01
CID 33624
CAS 026839758
TTD Drug ID DAP000088
SMILES CC(C)(C)NC[C@H](O)COC1=NSN=C1N2CCOCC2
Formula C13H24N4O3S
Molweight 316.42
Atoms 22
LogP 0.9584
Rotatable Bonds 7
H-Bond Donors 0
H-Bond Acceptors 6
CYP interactions
NameRelationsReferences
2C19Substrate 17431033
2D6Substrate Inhibitor 17431033
umm
10664926
Extrarenal fraction 0.8
Elimination half-life 4.1h
Betaxolol

Java required.


Information Structure
Name Betaxolol
Synonyms
1-(4-(2-(Cyclopropylmethoxy)ethyl)phenoxy)-3-((1-methylethyl)amino)-2-propanol
Betaxolol
Betaxololum
ATC C07AB05
S01ED02
CID 2369
CAS 063659187
Drugbank ID DB00195
TTD Drug ID DAP000305
SMILES CC(C)NC[C@H](O)COC1=CC=C(CCOC[C@H]2CC2)C=C1
Formula C18H29NO3
Molweight 307.428
Atoms 22
LogP 2.7843
Rotatable Bonds 11
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
1A2Substrate umm
2D6Substrate Inhibitor 17635183
umm
1675413
Extrarenal fraction 0.8
Elimination half-life 18h
Levobunolol

Java required.


Information Structure
Name Levobunolol
Synonyms
CCRIS 4375
Levobunolol
Levobunololum
ATC S01ED03
CID 3914
CAS 047141424
Drugbank ID DB01210
SMILES CC(C)(C)NC[C@H](O)COC1=CC=CC2=C1CCCC2=O
Formula C17H25NO3
Molweight 291.385
Atoms 21
LogP 2.7243
Rotatable Bonds 6
H-Bond Donors 0
H-Bond Acceptors 4
Metipranolol

Java required.


Information Structure
Name Metipranolol
Synonyms
(+-)-1-(4-Hydroxy-2,3,5-trimethylphenoxy)-3-(isopropylamino)-2-propanol 4-acetate
4-(2-Hydroxy-3-((1-methylethyl)-amino)propoxy)-2,3,6-trimethylphenol 1-acetate
BRN 2152010
Disorat
EINECS 245-151-5
Metipranolol
Metipranololum
OptiPranolol
Trimepranol
VUFB-6453
ATC C07AA18
S01ED04
CID 31477
CAS 022664557
Drugbank ID DB01214
TTD Drug ID DAP000480
SMILES CC(C)NC[C@@H](O)COC1=C(C)C(C)=C(OC(C)=O)C(C)=C1
Formula C17H27NO4
Molweight 309.401
Atoms 22
LogP 2.6657
Rotatable Bonds 8
H-Bond Donors 0
H-Bond Acceptors 5
Extrarenal fraction 0.9
Elimination half-life 2.5h
Carteolol

Java required.


Information Structure
Name Carteolol
Synonyms
Carteolol
Carteololum
ATC C07AA15
S01ED05
CID 2583
CAS 051781067
Drugbank ID DB00521
TTD Drug ID DAP000065
SMILES CC(C)(C)NC[C@H](O)COC1=CC=CC2=C1CCC(=O)N2
Formula C16H24N2O3
Molweight 292.373
Atoms 21
LogP 2.228
Rotatable Bonds 6
H-Bond Donors 0
H-Bond Acceptors 5
CYP interactions
NameRelationsReferences
2D6Substrate Inhibitor 9342584
9681669
9342584
9413916
Extrarenal fraction 0.3
Elimination half-life 7h
Befunolol

Java required.


Information Structure
Name Befunolol
Synonyms
1-(7-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-2-benzofuranyl)ethanone
2-Acetyl-7-(2-hyroxy-3-isopropylaminopropoxy)benzofuran
7-(2-Hydroxy-3-(isopropylamino)propoxy)-2-benzofuranyl Methyl Ketone
Befunolol
Befunololum
BRN 3620832
ATC S01ED06
CID 2309
CAS 039552017
SMILES CC(C)NC[C@@H](O)COC1=CC=CC2=C1OC(=C2)C(C)=O
Formula C16H21NO4
Molweight 291.342
Atoms 21
LogP 2.764
Rotatable Bonds 7
H-Bond Donors 0
H-Bond Acceptors 5
CYP interactions
NameRelationsReferences
2D6Substrate medicine.iupui.edu/flockhart
Pindolol

Java required.


Information Structure
Name Pindolol
Synonyms
(+-)-Pindolol
1-((1-Methylethyl)amino)-3-(4-indolyloxy)-2-propanol
1-(1H-Indol-4-yloxy)-3-((1-methylethyl)amino)-2-propanol
1-(Indol-4-yloxy)-3-(isopropylamino)-2-propanol
2-Propanol, 1-(4-indolyloxy)-3-(isopropylamino)-
4-(2-Hydroxy-3-isopropylaminopropoxy)-indole
4-(3-(Isopropylamino)-2-hydroxypropoxy)indole
5-21-03-00017 (Beilstein Handbook Reference)
Betapindol
Blocklin L
BRN 1536506
Calvisken
Carvisken
Decreten
Durapindol
EINECS 236-867-9
EINECS 244-623-8
Glauco-Viskin
HSDB 6539
LB 46
Pectobloc
Pinbetol
Pindolol
Pindololum
Prinodolol
Pynastin
Visken
ATC C07AA03
S01ED07
CID 4828
CAS 013523869
Drugbank ID DB00960
TTD Drug ID DAP000025
SMILES CC(C)NC[C@@H](O)COC1=CC=CC2=C1C=CN2
Formula C14H20N2O2
Molweight 248.321
Atoms 18
LogP 2.2965
Rotatable Bonds 6
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
2D6Substrate Inhibitor Inducer umm
1472073
1675413
Extrarenal fraction 0.5
Elimination half-life 3.5h
Bupranolol

Java required.


Information Structure
Name Bupranolol
Synonyms
2-Propanol, 1-(2-chloro-5-methylphenoxy)-3-((1,1-dimethylethyl)amino)-
2-Propanol, 1-(tert-butylamino)-3-(6-chloro-m-tolyloxy)-
3-(tert-Butylamino)-1-(6-chloro-m-tolyloxy)-2-propanol
BRN 2272923
Bupranolol
Bupranololum
SK&F 16805-A
ATC C07AA19
S01ED08
CID 2475
CAS 014556468
SMILES CC1=CC(OC[C@@H](O)CNC(C)(C)C)=C(Cl)C=C1
Formula C14H22ClNO2
Molweight 271.783
Atoms 18
LogP 3.1671
Rotatable Bonds 6
H-Bond Donors 0
H-Bond Acceptors 3
CYP interactions
NameRelationsReferences
2D6Substrate 11996015
8276051
8820420