Details of the Drug

General Information of Drug (ID: DM9QAP4)

Drug Name

L-750034

Synonyms

L-750034; CHEMBL326492; BDBM50076058; 2-((S)-Benzenesulfonylamino)-3-(4-piperazin-1-yl-benzoylamino)-propionic acid; 2-Benzenesulfonylamino-3-(4-piperazin-1-yl-benzoylamino)-propionic acid(L-750034); (S)-2-Benzenesulfonylamino-3-(4-piperazin-1-yl-benzoylamino)-propionic acid

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)

432.5

Logarithm of the Partition Coefficient (xlogp)

-1.3

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C20H24N4O5S
IUPAC Name: (2S)-2-(benzenesulfonamido)-3-[(4-piperazin-1-ylbenzoyl)amino]propanoic acid
Canonical SMILES: C1CN(CCN1)C2=CC=C(C=C2)C(=O)NC[C@@H](C(=O)O)NS(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C20H24N4O5S/c25-19(15-6-8-16(9-7-15)24-12-10-21-11-13-24)22-14-18(20(26)27)23-30(28,29)17-4-2-1-3-5-17/h1-9,18,21,23H,10-14H2,(H,22,25)(H,26,27)/t18-/m0/s1
InChIKey: PXSDSRKJCWOYNE-SFHVURJKSA-N