Details of the Drug

General Information of Drug (ID: DMXFLMK)

Drug Name

4-(3-cyclohexylureido)butanoic acid

Synonyms

4-{[(Cyclohexylamino)carbonyl]amino}butanoic acid; 4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID; 4-[(cyclohexylcarbamoyl)amino]butanoic acid; 511552-46-8; 4-(3-Cyclohexyl-ureido)-butyric acid; CHEMBL219695; 4-([(Cyclohexylamino)carbonyl]amino)butanoic acid; 4-(3-CYCLOHEXYLURIEDO)-BUTYRIC ACID; NC4; 1zd3; AC1O4WJY; AC1Q75I7; SCHEMBL1065092; WSVFRGGLURJIMG-UHFFFAOYSA-N; MolPort-004-290-136; HMS3604L06; ZINC8754389; BDBM50192936; AKOS000125413; 4-(3-cyclohexylur-eido)-butyric acid; NE13821; MCULE-1918218076; DB08257

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)

228.29

Logarithm of the Partition Coefficient (xlogp)

1

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C11H20N2O3
IUPAC Name: 4-(cyclohexylcarbamoylamino)butanoic acid
Canonical SMILES: C1CCC(CC1)NC(=O)NCCCC(=O)O
InChI: InChI=1S/C11H20N2O3/c14-10(15)7-4-8-12-11(16)13-9-5-2-1-3-6-9/h9H,1-8H2,(H,14,15)(H2,12,13,16)
InChIKey: WSVFRGGLURJIMG-UHFFFAOYSA-N