Details of the Drug

General Information of Drug (ID: DMK4T5Y)

Drug Name

Ethyl 5-benzoyl-4-phenylthiazol-2-ylcarbamate

Synonyms

CHEMBL603129; MLS000537589; Ethyl 5-benzoyl-4-phenylthiazol-2-ylcarbamate; AC1OJ6S4; cid_7315331; REGID_for_CID_7315331; HMS2189O04; BDBM50308501; SMR000161712; MLS-0103498.0001; ethyl 5-benzoyl-4-phenyl-1,3-thiazol-2-ylcarbamate; ethyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

352.4

Logarithm of the Partition Coefficient (xlogp)

4.6

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C19H16N2O3S
IUPAC Name: ethyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate
Canonical SMILES: CCOC(=O)NC1=NC(=C(S1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C19H16N2O3S/c1-2-24-19(23)21-18-20-15(13-9-5-3-6-10-13)17(25-18)16(22)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,20,21,23)
InChIKey: VMTZCTQCFMWSEO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 7315331
TTD ID: D0NO5E

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A1 receptor (ADORA1)	TTK25J1	AA1R_HUMAN	Inhibitor	[1]
Adenosine A2a receptor (ADORA2A)	TTM2AOE	AA2AR_HUMAN	Inhibitor	[1]
Adenosine A2b receptor (ADORA2B)	TTNE7KG	AA2BR_HUMAN	Inhibitor	[1]
Adenosine A3 receptor (ADORA3)	TTJFY5U	AA3R_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	2-Amino-5-benzoyl-4-phenylthiazoles: Development of potent and selective adenosine A1 receptor antagonists. Bioorg Med Chem. 2010 Mar 15;18(6):2195-2203.