PAVINETANT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3U471ZVC5K

Structure
InChI Key QYTBBBAHNIWFOD-NRFANRHFSA-N
Smile CC[C@H](NC(=O)c1c(NS(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1
InChI
InChI=1S/C26H25N3O3S/c1-3-21(18-12-6-4-7-13-18)28-26(30)23-20-16-10-11-17-22(20)27-24(19-14-8-5-9-15-19)25(23)29-33(2,31)32/h4-17,21,29H,3H2,1-2H3,(H,28,30)/t21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H25N3O3S
Molecular Weight 459.57
AlogP 5.15
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 88.16
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Neurokinin 3 receptor antagonist PubMed Other
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) Neurokinin receptor
- 2 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 2 D012559 ClinicalTrials
Polycystic Ovary Syndrome 2 D011085 ClinicalTrials
Flushing 2 D005483 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 140478
ChEMBL CHEMBL3545233
DrugBank DB11692
FDA SRS 3U471ZVC5K
Guide to Pharmacology 5775
PubChem 23649245
SureChEMBL SCHEMBL3587478
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