Details of the Drug

General Information of Drug (ID: DMHNR36)

• Drug Name: N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE
• Synonyms: N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE; 2-[(cyclohexylcarbamoyl)amino]acetic acid; CHEMBL66380; 33557-91-4; 2-(3-cyclohexylureido)acetic acid; Glycine, N-[(cyclohexylamino)carbonyl]-; 4-(3-CYCLOHEXYLURIEDO)-ETHANOIC ACID; NC3; 2-(cyclohexylcarbamoylamino)acetic acid; 1zd2; N-(cyclohexylcarbamoyl)glycine; AC1Q760W; AC1N5Q71; CTK1B1676; DTXSID90399930; MolPort-002-472-569; HMS3604L13; (3-Cyclohexyl-ureido)-acetic acid; ZINC6691828; BDBM50143914; AKOS000132958; NE25644; MCULE-8014113453; DB08256; [(cyclohexylcarbamoyl)amino]acetic acid

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 200.23
  Logarithm of the Partition Coefficient (xlogp); 0.8
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C9H16N2O3
  IUPAC Name: 2-(cyclohexylcarbamoylamino)acetic acid
  Canonical SMILES: C1CCC(CC1)NC(=O)NCC(=O)O
  InChI: InChI=1S/C9H16N2O3/c12-8(13)6-10-9(14)11-7-4-2-1-3-5-7/h7H,1-6H2,(H,12,13)(H2,10,11,14)
  InChIKey: NVORCMBCUHQRDL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 4149241
  CAS Number: 33557-91-4
  DrugBank ID: DB08256
  TTD ID: D0B4CV

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 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

References

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