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]
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
ChEBI ID
CHEMBL592001
CAS Number
21256-15-5
TTD ID
D0E3WT
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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 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) Jump to Detail Molecular Expression Atlas of This Drug

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.