Details of the Drug

General Information of Drug (ID: DM45SGE)

Drug Name

JNJ-39439335

Synonyms

Mavatrep; 956274-94-5; JNJ-39439335; UNII-F197218T99; F197218T99; Mavatrep [USAN:INN]; Mavatrep (USAN); JNJ 39439335; SCHEMBL1796599; SCHEMBL1797450; CHEMBL2364618; Mavatrep(JNJ-39439335); Mavatrep; JNJ-39439335; DTXSID90241905; BCP23936; EX-A2266; ZINC43175494; BDBM50086717; AKOS030527038; DB12875; CS-4591; SB17026; trans-2-(2-(2-(2-(4-Trifluoromethylphenyl)vinyl)-1H-benzimidazol-5-yl)phenyl)propan-2-ol; BC600772; HY-16935; B5930; J3.561.747G; D10370

Indication

Disease Entry	ICD 11	Status	REF
Musculoskeletal pain	MG30	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

422.4

Logarithm of the Partition Coefficient (xlogp)

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C25H21F3N2O
IUPAC Name: 2-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
Canonical SMILES: CC(C)(C1=CC=CC=C1C2=CC3=C(C=C2)N=C(N3)/C=C/C4=CC=C(C=C4)C(F)(F)F)O
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+
InChIKey: ORDHXXHTBUZRCN-NTEUORMPSA-N

Cross-matching ID

PubChem CID: 17751090
CAS Number: 956274-94-5
UNII: F197218T99
DrugBank ID: DB12875
TTD ID: D0EM4S

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Transient receptor potential cation channel V1 (TRPV1)	TTMI6F5	TRPV1_HUMAN	Antagonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT01631487) A Study to Investigate the Safety, Tolerability, and Pharmacokinetics of JNJ-39439335 in Healthy Japanese and Caucasian Adult Male Participants. U.S. National Institutes of Health.
2	Benzo[d]imidazole Transient Receptor Potential Vanilloid 1 Antagonists for the Treatment of Pain: Discovery of trans-2-(2-{2-[2-(4-Trifluoromethyl-phenyl)-vinyl]-1H-benzimidazol-5-yl}-phenyl)-propan-2-ol (Mavatrep). J Med Chem. 2015 May 14;58(9):3859-74.