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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL1408713
TTD ID
D0M2TO
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 IRE-1 inhibitors. US9693992.