Compound - Results

Oxypertine

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Information Structure
Name Oxypertine
Synonyms
5,6-Dimethoxy-2-methyl-3-(2-(4-phenyl-1-piperazinyl)ethyl)indole
5-23-03-00112 (Beilstein Handbook Reference)
BRN 0899339
DO 180
EINECS 205-818-3
Equipertine
Forit
Integrin
Opertil
Oxipertina
Oxipertinum
Oxypertine
Oxypertinum
WIN 18501-2
ATC N05AE01
CID 4640
CAS 000153877
SMILES COC1=CC2=C(C=C1OC)C(CCN3CCN(CC3)C4=CC=CC=C4)=C(C)N2
Formula C23H29N3O2
Molweight 379.495
Atoms 28
LogP 3.8611
Rotatable Bonds 6
H-Bond Donors 0
H-Bond Acceptors 4
Transporter
AC-No.NameReferences
O15438Canalicular multispecific organic anion transporter 219435806
P31645Sodium-dependent serotonin transporter16721604
Molindone

Java required.


Information Structure
Name Molindone
Synonyms
(+-)-Molindone
3-Ethyl-1,5,6,7-tetrahydro-2-methyl-5-(4-morpholinylmethyl)-4H-indol-4-one
3-Ethyl-6,7-dihydro-2-methyl-5-(morpholinomethyl)indol-4(5H)-one
4H-Indol-4-one, 3-ethyl-1,5,6,7-tetrahydro-2-methyl-5-(4-morpholinylmethyl)-
HSDB 3131
Indol-4(5H)-one, 3-ethyl-6,7-dihydro-2-methyl-5-(morpholinomethyl)-
Molindona
Molindone
Molindonum
ATC N05AE02
CID 23897
CAS 007416344
Drugbank ID DB01618
TTD Drug ID DAP000979
SMILES CCC1=C(C)NC2=C1C(=O)[C@H](CC2)CN3CCOCC3
Formula C16H24N2O2
Molweight 276.374
Atoms 20
LogP 1.9007
Rotatable Bonds 3
H-Bond Donors 0
H-Bond Acceptors 4
Transporter
AC-No.NameReferences
O15438Canalicular multispecific organic anion transporter 219435806
P31645Sodium-dependent serotonin transporter16721604
Sertindole

Java required.


Information Structure
Name Sertindole
Synonyms
1-(2-(4-(5-Chloro-1-(4-fluorophenyl)-1H-indole-3-yl)-1-piperidinyl)ethyl)-2-imidazolidinone
1-(2-(4-(5-Chloro-1-(p-fluorophenyl)indol-3-yl)piperidino)ethyl)-2-imidazolidinone
Lu 23-174
Sertindol
Sertindole
Sertindolum
ATC N05AE03
CID 60149
CAS 106516249
Drugbank ID DB06144
TTD Drug ID DAP000832
SMILES FC1=CC=C(C=C1)N2C=C([C@@H]3CCN(CC3)CCN4CCNC4=O)C5=CC(Cl)=CC=C25
Formula C24H26ClFN4O
Molweight 440.941
Atoms 31
LogP 4.8322
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
2D6Substrate 10422890
17214606
10688273
9218930
8941167
3A4Substrate 17214606
9498726
11996015
Transporter
AC-No.NameReferences
O15438Canalicular multispecific organic anion transporter 219435806
P31645Sodium-dependent serotonin transporter16721604
Ziprasidone

Java required.


Information Structure
Name Ziprasidone
Synonyms
Zeldox
Ziprasidone
ATC N05AE04
CID 219099
CAS 146939277
Drugbank ID DB00246
SMILES ClC1=CC2=C(CC(=O)N2)C=C1CCN3CCN(CC3)C4=NSC5=CC=CC=C45
Formula C21H22Cl2N4OS
Molweight 449.397
Atoms 29
LogP 4.7519
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
1A2Substrate source: www.umm.edu
2D6Inhibitor 10771452
10771452
3A4Substrate Inhibitor 10771452
12826984
15821046
12670127
10771452
10843459
10771452
18537577
17214606
10771452
3A5Substrate medicine.iupui.edu/flockhart
3A7Substrate medicine.iupui.edu/flockhart
Transporter
AC-No.NameReferences
O15438Canalicular multispecific organic anion transporter 219435806
P31645Sodium-dependent serotonin transporter16721604