Details of the Drug

General Information of Drug (ID: DMHGX1N)

Drug Name
C75
Synonyms
C75 trans; C75 (trans); 191282-48-1; 3-Carboxy-4-octyl-2-methylenebutyrolactone; CHEMBL449993; trans-4-Carboxy-5-octyl-3-methylenebutyrolactone; Fatty Acid Synthase Inhibitor, C75; (+)-trans-C75; C75 (racemic); SCHEMBL3007085; CTK8E7727; MolPort-005-933-439; HMS3649D16; ZINC2009913; BCP11074; HY-12364A; BDBM50256128; trans-Tetrahydro-3-methylene-2-oxo-5-n-octyl-4-furancarboxylic acid; AKOS015960616; VC30664; CS-3561; AC-11808; RT-011885; SR-01000946704; SR-01000946704-1; J-012362; UNII-8E9A8CTX2H component VCWLZDVWHQVAJU-NEPJUHHUSA-
Indication
Disease Entry ICD 11 Status REF
Obesity 5B81 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 254.32
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C14H22O4
IUPAC Name
4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid
Canonical SMILES
CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O
InChI
InChI=1S/C14H22O4/c1-3-4-5-6-7-8-9-11-12(13(15)16)10(2)14(17)18-11/h11-12H,2-9H2,1H3,(H,15,16)
InChIKey
VCWLZDVWHQVAJU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4248455
ChEBI ID
CHEMBL95108
CAS Number
218137-86-1
TTD ID
D07MXA
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Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Carnitine O-palmitoyltransferase I (CPT1B) TTDL0NY CPT1B_HUMAN Activator [1]
Fatty acid synthase (FASN) TT7AOUD FAS_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 C75 increases peripheral energy utilization and fatty acid oxidation in diet-induced obesity. Proc Natl Acad Sci U S A. 2002 Jul 9;99(14):9498-502.