Details of the Drug

General Information of Drug (ID: DM1G7P9)

Drug Name
6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID
Synonyms
6-[(cyclohexylcarbamoyl)amino]hexanoic acid; 6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID; CHEMBL434374; 6-(3-cyclohexylureido)hexanoic acid; 4-(3-CYCLOHEXYLURIEDO)-HEXANOIC ACID; NC6; 479413-50-8; 1zd4; AC1O4WJZ; MolPort-004-305-491; HMS3604D15; ZINC13493677; BDBM50192966; AKOS000144586; DB08258; NE37451; MCULE-4614457618; 6-(cyclohexylcarbamoylamino)hexanoic acid; EN300-77810
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 256.339
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C13H24N2O3
IUPAC Name
6-(cyclohexylcarbamoylamino)hexanoic acid
Canonical SMILES
C1CCC(CC1)NC(=O)NCCCCCC(=O)O
InChI
InChI=1S/C13H24N2O3/c16-12(17)9-5-2-6-10-14-13(18)15-11-7-3-1-4-8-11/h11H,1-10H2,(H,16,17)(H2,14,15,18)
InChIKey
KFTVEPYSUSWBRD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6420120
UNII
BCV85A2H3R
DrugBank ID
DB08258
TTD ID
D09WQW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Soluble epoxide hydrolase (EPHX2) TT7WVHI HYES_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Soluble epoxide hydrolase (EPHX2) DTT EPHX2 8.78E-01 -0.1 -0.27
Soluble epoxide hydrolase (EPHX2) DTT EPHX2 4.40E-02 -0.18 -0.42
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.