Structure

InChI Key ZIMCQJVMPKQQPB-UHFFFAOYSA-N
Smiles Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1.O.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O
InChI
InChI=1S/C23H16O6.C17H20N4S.H2O/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12;/h1-10,24-25H,11H2,(H,26,27)(H,28,29);3-6,11,19H,7-10H2,1-2H3;1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C40H38N4O7S
Molecular Weight 718.83
AlogP 3.44
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Polar Surface Area 30.87
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
D2-like dopamine receptor antagonist ANTAGONIST FDA

Target Conservation

Protein: Serotonin 2a (5-HT2a) receptor

Description: 5-hydroxytryptamine receptor 2A

Organism : Homo sapiens

P28223 ENSG00000102468
Protein: Serotonin 2c (5-HT2c) receptor

Description: 5-hydroxytryptamine receptor 2C

Organism : Homo sapiens

P28335 ENSG00000147246

Cross References

Resources Reference
ChEMBL CHEMBL3989694
FDA SRS X7S6Q4MHCB
PubChem 135566032
SureChEMBL SCHEMBL1635524