Details of the Drug

General Information of Drug (ID: DM6P1UA)

Drug Name
JNJ-10191584
Synonyms VUF 6002; JNJ 10191584; VUF6002; VUF-6002; JNJ10191584; compound 12
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 278.74
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C13H15ClN4O
IUPAC Name
(6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone
Canonical SMILES
CN1CCN(CC1)C(=O)C2=NC3=C(N2)C=C(C=C3)Cl
InChI
InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H,15,16)
InChIKey
MOIWSUQWIOVGRH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10446295
ChEBI ID
CHEBI:92272
CAS Number
73903-17-0
TTD ID
D00XJR

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histamine H4 receptor (H4R) TTXJ178 HRH4_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Histamine H4 receptor (H4R) DTT HRH4 1.32E-01 0.1 0.9
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Preparation and biological evaluation of indole, benzimidazole, and thienopyrrole piperazine carboxamides: potent human histamine h(4) antagonists. J Med Chem. 2005 Dec 29;48(26):8289-98.
2 Synthesis and structure-activity relationships of indole and benzimidazole piperazines as histamine H(4) receptor antagonists. Bioorg Med Chem Lett. 2004 Nov 1;14(21):5251-6.