Details of the Drug

General Information of Drug (ID: DM9WL6O)

Drug Name

(R)-2-(2-naphthamido)-5-phenylpent-4-ynoic acid

Synonyms

CHEMBL1090378; (R)-2-(2-naphthamido)-5-phenylpent-4-ynoic acid; SCHEMBL16550496

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): 0

Molecular Weight (mw)

343.4

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C22H17NO3
IUPAC Name: (2R)-2-(naphthalene-2-carbonylamino)-5-phenylpent-4-ynoic acid
Canonical SMILES: C1=CC=C(C=C1)C#CC[C@H](C(=O)O)NC(=O)C2=CC3=CC=CC=C3C=C2
InChI: InChI=1S/C22H17NO3/c24-21(19-14-13-17-10-4-5-11-18(17)15-19)23-20(22(25)26)12-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11,13-15,20H,12H2,(H,23,24)(H,25,26)/t20-/m1/s1
InChIKey: IIZVJSCXCNYCFJ-HXUWFJFHSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Structure-based design of novel human Pin1 inhibitors (II). Bioorg Med Chem Lett. 2010 Apr 1;20(7):2210-4.