Details of the Drug

General Information of Drug (ID: DMPOR3G)

• Drug Name: AC1LE05K
• Synonyms: 2-cyclohexyl-N-(4H-1,2,4-triazol-3-yl)acetamide; MLS-0072999.0001; 2-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)acetamide; 2-Cyclohexyl-N-(4H-[1,2,4]triazol-3-yl)-acetamide; AC1LE05K; Cambridge id 6726786; MLS000527850; cid_704227; SCHEMBL13934556; CHEMBL1408713; BDBM51399; HMS3315G01; HMS2154C10; ZINC5731798; STK222766; AKOS000643541; MCULE-3724123277; SMR000120424; BAS 04087149; EU-0013407; MLS-0072999.0002; 2-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)ethanamide; Z57261898; 432007-38-0
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 208.26
  Logarithm of the Partition Coefficient (xlogp); 2.2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C10H16N4O
  IUPAC Name: 2-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)acetamide
  Canonical SMILES: C1CCC(CC1)CC(=O)NC2=NC=NN2
  InChI: InChI=1S/C10H16N4O/c15-9(13-10-11-7-12-14-10)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H2,11,12,13,14,15)
  InChIKey: WOQYWVDZSFPTSS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 704227
  TTD ID: D0M2TO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Endoplasmic reticulum to nucleus signaling 1 (ERN1)	TTOJ9QL	ERN1_HUMAN	Inhibitor	[1]

References

• [1] IRE-1 inhibitors. US9693992.