Details of the Drug

General Information of Drug (ID: DMG49N2)

Drug Name

2-(2,4-diphenylthiazol-5-yl)acetic acid

Synonyms

2-(2,4-diphenyl-1,3-thiazol-5-yl)acetic acid; 21256-15-5; 2-(2,4-diphenylthiazol-5-yl)acetic acid; CHEMBL592001; SMR000168586; diphenylthiazolylaceticacid; Bionet2_000936; AC1MC90U; Oprea1_148343; MLS000327963; SCHEMBL4497493; CTK4E6215; DTXSID40377203; MolPort-002-345-061; ZINC169124; HMS2377A22; HMS1366K12; KS-00001A6R; 7213AD; SBB077302; BDBM50309445; AKOS005070458; RP15938; MCULE-6578968783; 4K-539S; (diphenyl-1,3-thiazol-5-yl)acetic acid; AM803507; AJ-17064; KB-220568; TR-009976; CS-0039039; FT-0680367; I04-4316; J-505484

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)

295.4

Logarithm of the Partition Coefficient (xlogp)

4.6

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C17H13NO2S
IUPAC Name: 2-(2,4-diphenyl-1,3-thiazol-5-yl)acetic acid
Canonical SMILES: C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CC=C3)CC(=O)O
InChI: InChI=1S/C17H13NO2S/c19-15(20)11-14-16(12-7-3-1-4-8-12)18-17(21-14)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,20)
InChIKey: WNGOHXAHAKLKAR-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2763923
CAS Number: 21256-15-5
TTD ID: D0E3WT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin D2 receptor 2 (PTGDR2)	TTQDMX5	PD2R2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Prostaglandin D2 receptor 2 (PTGDR2)	DTT	PTGDR2	6.11E-02	-0.15	-0.25

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	Novel selective thiazoleacetic acids as CRTH2 antagonists developed from in silico derived hits. Part 1. Bioorg Med Chem Lett. 2010 Feb 1;20(3):1177-80.