Details of the Drug

General Information of Drug (ID: DM9BS3W)

Drug Name

FR-193262

Synonyms

FR-193262; UNII-6799C86Z0K; 6799C86Z0K; CHEMBL190497; Acetic acid, (((5R)-5-((2R)-2-(4,5-diphenyl-2-oxazolyl)-1-pyrrolidinyl)-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)-, sodium salt; Acetic acid, ((5-(2-(4,5-diphenyl-2-oxazolyl)-1-pyrrolidinyl)-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)-, sodium salt, (R-(R*,R*))-; 187992-22-9; Acetic acid, 2-(((5R)-5-((2R)-2-(4,5-diphenyl-2-oxazolyl)-1-pyrrolidinyl)-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)-, sodium salt (1:1)

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):
1

Molecular Weight

516.6

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

7

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

6

Chemical Identifiers

Formula: C31H29N2NaO4
IUPAC Name: sodium;2-[[(5R)-5-[(2R)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetate
Canonical SMILES: C1C[C@H](C2=C(C1)C(=CC=C2)OCC(=O)[O-])N3CCC[C@@H]3C4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6.[Na+]
InChI: InChI=1S/C31H30N2O4.Na/c34-28(35)20-36-27-18-8-14-23-24(27)15-7-16-25(23)33-19-9-17-26(33)31-32-29(21-10-3-1-4-11-21)30(37-31)22-12-5-2-6-13-22;/h1-6,8,10-14,18,25-26H,7,9,15-17,19-20H2,(H,34,35);/q;+1/p-1/t25-,26-;/m1./s1
InChIKey: NRXVVCOCESTRSY-JUJAXGASSA-M

Cross-matching ID

PubChem CID: 23664784
CAS Number: 187992-22-9
TTD ID: D0Y1IF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostacyclin receptor (PTGIR)	TTOFYT1	PI2R_HUMAN	Inhibitor	[1]

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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
Prostacyclin receptor (PTGIR)	DTT	PTGIR	7.12E-02	-0.13	-0.33

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Discovery of new diphenyloxazole derivatives containing a pyrrolidine ring: orally active prostacyclin mimetics. Part 2. Bioorg Med Chem Lett. 2005 Jul 1;15(13):3279-83.