Details of the Drug

General Information of Drug (ID: DM5IXOS)

Drug Name

RP-52770

Synonyms

N-(3-Chlorophenyl)-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide; CHEMBL64716; 93363-02-1; N-(3-chlorophenyl)-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide; RP 52770; 52770 RP; [3H]52770 RP; AC1L3T5Q; GTPL1858; GTPL1839; SCHEMBL11014618; BDBM50038753; N-(3-Chlorophenyl)-3-(3-pyridinyl)-1H,3H-pyrrolo(1,2-c)thiazole-7-carboxamide; L001082; 1H,3H-Pyrrolo(1,2-c)thiazole-7-carboxamide, N-(3-chlorophenyl)-3-(3-pyridinyl)-; 3-Pyridin-3-yl-1H-pyrrolo[1,2-c]thiazole-7-carboxylic acid; RP 52770

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

355.8

Logarithm of the Partition Coefficient (xlogp)

3

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C18H14ClN3OS
IUPAC Name: N-(3-chlorophenyl)-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
Canonical SMILES: C1C2=C(C=CN2C(S1)C3=CN=CC=C3)C(=O)NC4=CC(=CC=C4)Cl
InChI: InChI=1S/C18H14ClN3OS/c19-13-4-1-5-14(9-13)21-17(23)15-6-8-22-16(15)11-24-18(22)12-3-2-7-20-10-12/h1-10,18H,11H2,(H,21,23)
InChIKey: MJGVBIXLFIUPQU-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 146417
CAS Number: 93363-02-1
TTD ID: D02QUS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Platelet-activating factor receptor (PTAFR)	TTQL5VC	PTAFR_HUMAN	Antagonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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
Platelet-activating factor receptor (PTAFR)	DTT	PTAFR	3.53E-02	0.33	2.12

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1858).
2	[3H]52770 RP, a platelet-activating factor receptor antagonist, and tritiated platelet-activating factor label a common specific binding site in human polymorphonuclear leukocytes. J Pharmacol Exp Ther. 1988 Feb;244(2):709-15.