BALOVAPTAN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: RAX5D5AGV6

Structure
InChI Key GMPZPHGHNDMRKL-RZDIXWSQSA-N
Smile CN1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1
InChI
InChI=1S/C22H24ClN5O/c1-27-13-16-12-17(23)7-10-19(16)28-20(14-27)25-26-22(28)15-5-8-18(9-6-15)29-21-4-2-3-11-24-21/h2-4,7,10-12,15,18H,5-6,8-9,13-14H2,1H3/t15-,18-

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H24ClN5O
Molecular Weight 409.92
AlogP 4.37
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 56.07
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Vasopressin V1a receptor antagonist Other Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Vasopressin and oxytocin receptor
- 3-3 - 1-1 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Child Development Disorders, Pervasive 3 D002659 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1228088-30-9
ChEMBL CHEMBL4297183
DrugBank DB14823
FDA SRS RAX5D5AGV6
Guide to Pharmacology 10615
PubChem 46200932
SureChEMBL SCHEMBL3329710
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