Details of the Drug

General Information of Drug (ID: DMRWUQ5)

Drug Name

Ala(1-naph)-Pro-CN

Synonyms

Ala(1-naph)-Pro-CN; GTPL8607

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)

293.4

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C18H19N3O
IUPAC Name: (2S)-1-[(2S)-2-amino-3-naphthalen-1-ylpropanoyl]pyrrolidine-2-carbonitrile
Canonical SMILES: C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=CC3=CC=CC=C32)N)C#N
InChI: InChI=1S/C18H19N3O/c19-12-15-8-4-10-21(15)18(22)17(20)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-3,5-7,9,15,17H,4,8,10-11,20H2/t15-,17-/m0/s1
InChIKey: ZVRWNKCHASBEDZ-RDJZCZTQSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Retinoblastoma-binding protein 9 (RBBP9)	TTUA38Z	RBBP9_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	A high-throughput, multiplexed assay for superfamily-wide profiling of enzyme activity. Nat Chem Biol. 2014 Aug;10(8):656-63.