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]
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) 6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
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
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]
Molecular Interaction Atlas (MIA) 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.