Details of the Drug

General Information of Drug (ID: DMJ5STO)

Drug Name

PD-159913

Synonyms

PD-159913; CHEMBL60181; SCHEMBL8923309

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-2-yl-5-(phosphonomethyl)phenyl]propanoic acid
Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)C3=CC(=CC(=C3)CP(=O)(O)O)C[C@@H](C(=O)O)N
InChI: InChI=1S/C20H20NO5P/c21-19(20(22)23)10-13-7-14(12-27(24,25)26)9-18(8-13)17-6-5-15-3-1-2-4-16(15)11-17/h1-9,11,19H,10,12,21H2,(H,22,23)(H2,24,25,26)/t19-/m0/s1
InChIKey: GOPXMKDIVJBBQF-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 800008061)
2	WO patent application no. 2009,0164,86, Use of nmda receptor antagonists for treatment of urologic tumors.