ABT-925

Search structure
Synonyms:
Status: Phase 2
Entry Type: Unknown
Molecule Category: UNKNOWN
UNII: XXV4WFG08S

Structure
InChI Key KXVAICSRMHXLJN-UHFFFAOYSA-N
Smile CC(C)(C)c1nc(N2CCN(CCCSc3nccc(O)n3)CC2)cc(C(F)(F)F)n1
InChI
InChI=1S/C20H27F3N6OS/c1-19(2,3)17-25-14(20(21,22)23)13-15(26-17)29-10-8-28(9-11-29)7-4-12-31-18-24-6-5-16(30)27-18/h5-6,13H,4,7-12H2,1-3H3,(H,24,27,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H27F3N6OS
Molecular Weight 456.54
AlogP 3.59
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 78.27
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Dopamine D3 receptor antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - 2.9-2.9 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 2 D012559 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL439338
EPA CompTox DTXSID70176529
FDA SRS XXV4WFG08S
PubChem 9916104
SureChEMBL SCHEMBL1043144
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