Details of the Drug

General Information of Drug (ID: DMS1XK5)

Drug Name

PD-158473

Synonyms

SCHEMBL838874; CHEMBL62030; ZINC1542005

Indication

Disease Entry	ICD 11	Status	REF
Cerebrovascular ischaemia	8B1Z	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

385.3

Logarithm of the Partition Coefficient (xlogp)

-0.6

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C20H20NO5P
IUPAC Name: (2S)-2-amino-3-[3-naphthalen-1-yl-5-(phosphonomethyl)phenyl]propanoic acid
Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2C3=CC(=CC(=C3)CP(=O)(O)O)C[C@@H](C(=O)O)N
InChI: InChI=1S/C20H20NO5P/c21-19(20(22)23)11-13-8-14(12-27(24,25)26)10-16(9-13)18-7-3-5-15-4-1-2-6-17(15)18/h1-10,19H,11-12,21H2,(H,22,23)(H2,24,25,26)/t19-/m0/s1
InChIKey: YFASPHLUVUCGGI-IBGZPJMESA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
N-methyl-D-aspartate receptor (NMDAR)	TT9IK2Z	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800008060)
2	Improved intestinal transport of PD 158473, an N-methyl-D-aspartate (NMDA) antagonist, by involvement of multiple transporters. J Pharm Sci. 2002 Dec;91(12):2579-87.