BALOVAPTAN

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Synonyms
Status
Molecule Category Free-form
UNII RAX5D5AGV6

Structure

InChI Key GMPZPHGHNDMRKL-RZDIXWSQSA-N
Smiles 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
Number of Rotational Bond 3.0
Polar Surface Area 56.07
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Vasopressin V1a receptor antagonist 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 - 0.7-0.7 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 3-3 - 0.7-0.7 -
Mus musculus
- - - - 80

Target Conservation

Protein: Vasopressin V1a receptor
Description: Vasopressin V1a receptor
Organism : Homo sapiens
P37288 ENSG00000166148

Cross References

Resources Reference
ChEMBL CHEMBL4297183
DrugBank DB14823
FDA SRS RAX5D5AGV6
Guide to Pharmacology 10615
PubChem 46200932
SureChEMBL SCHEMBL3329710
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