MAVATREP

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: F197218T99

Structure
InChI Key ORDHXXHTBUZRCN-NTEUORMPSA-N
Smile CC(C)(O)c1ccccc1-c1ccc2[nH]c(/C=C/c3ccc(C(F)(F)F)cc3)nc2c1
InChI
InChI=1S/C25H21F3N2O/c1-24(2,31)20-6-4-3-5-19(20)17-10-13-21-22(15-17)30-23(29-21)14-9-16-7-11-18(12-8-16)25(26,27)28/h3-15,31H,1-2H3,(H,29,30)/b14-9+

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H21F3N2O
Molecular Weight 422.45
AlogP 6.65
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 48.91
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Vanilloid receptor antagonist ClinicalTrials
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Transient receptor potential channel
- 5-23 - 7 74

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteoarthritis, Knee 1 D020370 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2364618
DrugBank DB12875
EPA CompTox DTXSID90241905
FDA SRS F197218T99
PubChem 17751090
SureChEMBL SCHEMBL1797450
ZINC ZINC000043175494
CONTENTS