Structure

InChI Key IUDQMMSLVSVGDZ-UHFFFAOYSA-N
Smile Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O
InChI
InChI=1S/C23H16O6.C17H20N4S/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

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
Number of Rotational Bond 0.0
Polar Surface Area 30.87
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

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

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
32.17
Psychiatric disorders
22.76
General disorders and administration site conditions
9.64
Vascular disorders
6.57
Injury, poisoning and procedural complications
5.3
Cardiac disorders
5.0
Investigations
4.54
Musculoskeletal and connective tissue disorders
3.25
Respiratory, thoracic and mediastinal disorders
2.5

Cross References

Resources Reference
ChEMBL CHEMBL3989694
FDA SRS X7S6Q4MHCB
PubChem 135566032
SureChEMBL SCHEMBL1635524