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]
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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

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)