Details of the Drug

General Information of Drug (ID: DMWAHTN)

Drug Name
Cetilistat
Synonyms Cametor; Cetilistat [INN]; ATL 962; ATL962; ATL-962; Cetilistat (JAN/USAN/INN); 2-(Hexadecyloxy)-6-methyl-4H-3,1-benzoxazin-4-one
Indication
Disease Entry ICD 11 Status REF
Diabetic complication 5A2Y Phase 3 [1]
Obesity 5B81 Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 401.6
Logarithm of the Partition Coefficient (xlogp) 9.8
Rotatable Bond Count (rotbonds) 16
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C25H39NO3
IUPAC Name
2-hexadecoxy-6-methyl-3,1-benzoxazin-4-one
Canonical SMILES
CCCCCCCCCCCCCCCCOC1=NC2=C(C=C(C=C2)C)C(=O)O1
InChI
InChI=1S/C25H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-25-26-23-18-17-21(2)20-22(23)24(27)29-25/h17-18,20H,3-16,19H2,1-2H3
InChIKey
MVCQKIKWYUURMU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9952916
ChEBI ID
CHEMBL134721
CAS Number
282526-98-1
UNII
LC5G1JUA39
DrugBank ID
DB06586
TTD ID
D04NRB
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Gastric triacylglycerol lipase (LIPF) TTKYZA9 LIPG_HUMAN Modulator [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Hemoglobin subunit alpha (HBA1) OTW2BQF4 HBA_HUMAN Gene/Protein Processing [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Cetilistat (ATL-962), a novel lipase inhibitor: a 12-week randomized, placebo-controlled study of weight reduction in obese patients. Int J Obes (Lond). 2007 Mar;31(3):494-9.
2 Weight loss, HbA1c reduction, and tolerability of cetilistat in a randomized, placebo-controlled phase 2 trial in obese diabetics: comparison with orlistat (Xenical). Obesity (Silver Spring). 2010 Jan;18(1):108-15. doi: 10.1038/oby.2009.155. Epub 2009 May 21.