General Information of Drug (ID: DMF2IY8)

Drug Name
(S)-1-(1H-indazol-4-yl)-3-(1-p-tolylethyl)urea
Synonyms indazole antagonist, (S)-16b; CHEMBL231392; BDBM20406
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 294.35
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C17H18N4O
IUPAC Name
1-(1H-indazol-4-yl)-3-[(1S)-1-(4-methylphenyl)ethyl]urea
Canonical SMILES
CC1=CC=C(C=C1)[C@H](C)NC(=O)NC2=CC=CC3=C2C=NN3
InChI
InChI=1S/C17H18N4O/c1-11-6-8-13(9-7-11)12(2)19-17(22)20-15-4-3-5-16-14(15)10-18-21-16/h3-10,12H,1-2H3,(H,18,21)(H2,19,20,22)/t12-/m0/s1
InChIKey
SHOUDGQMQHLAFL-LBPRGKRZSA-N
Cross-matching ID
PubChem CID
24768210
TTD ID
D0H6TX

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 Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Alpha-methylation at benzylic fragment of N-aryl-N'-benzyl ureas provides TRPV1 antagonists with better pharmacokinetic properties and higher effic... Bioorg Med Chem Lett. 2007 Jul 15;17(14):3894-9.