Details of the Drug

General Information of Drug (ID: DMPQ1TM)

Drug Name
CA-011
Synonyms
2-Amino-4-(p-nitrophenyl)thiazole; 4-(4-Nitrophenyl)-1,3-thiazol-2-amine; 2104/9/8; 2-Amino-4-(4-nitrophenyl)thiazole; 4-(4-Nitrophenyl)-2-thiazolamine; 2-Thiazolamine, 4-(4-nitrophenyl)-; 4-(4-nitrophenyl)thiazol-2-amine; THIAZOLE, 2-AMINO-4-(p-NITROPHENYL)-; 4-(4-Nitrophenyl)thiazol-2-ylamine; 2-amino-4-(4'-nitrophenyl)-1,3-thiazole; RIKJWJIWXCUKQV-UHFFFAOYSA-N; BRN 0200321; 4-(4-Nitro-phenyl)-thiazol-2-ylamine; AI3-62320; 4-(4-nitrophenyl)-1,3-thiazole-2-ylamine; DSSTox_CID_65; AC1L27WX; Cambridge id 5156331; DSSTox_RID_
Indication
Disease Entry ICD 11 Status REF
Chronic pain MG30 Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 221.24
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C9H7N3O2S
IUPAC Name
4-(4-nitrophenyl)-1,3-thiazol-2-amine
Canonical SMILES
C1=CC(=CC=C1C2=CSC(=N2)N)[N+](=O)[O-]
InChI
InChI=1S/C9H7N3O2S/c10-9-11-8(5-15-9)6-1-3-7(4-2-6)12(13)14/h1-5H,(H2,10,11)
InChIKey
RIKJWJIWXCUKQV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
16420
CAS Number
2104-09-8
TTD ID
D0KK9D
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)