Details of the Drug

General Information of Drug (ID: DMJFWPR)

Drug Name
ABT-102
Synonyms 3-(1H-indazol-4-yl)-1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)urea
Indication
Disease Entry ICD 11 Status REF
Chronic pain MG30 Phase 1 [1]
Therapeutic Class
Analgesics
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 348.4
Logarithm of the Partition Coefficient (xlogp) 4.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C21H24N4O
IUPAC Name
1-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-3-(1H-indazol-4-yl)urea
Canonical SMILES
CC(C)(C)C1=CC2=C(C=C1)[C@@H](CC2)NC(=O)NC3=CC=CC4=C3C=NN4
InChI
InChI=1S/C21H24N4O/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26)/t18-/m1/s1
InChIKey
TYOYXJNGINZFET-GOSISDBHSA-N
Cross-matching ID
PubChem CID
11256560
ChEBI ID
CHEMBL398338
CAS Number
808756-71-0
TTD ID
D00CMV
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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 Blocker [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00854659) A Safety, Tolerability and Pharmacokinetic Study of ABT-102 in Healthy Subjects. U.S. National Institutes of Health.
2 Analgesic potential of TRPV1 antagonists. Biochem Pharmacol. 2009 Aug 1;78(3):211-6.