Details of the Drug

General Information of Drug (ID: DMDIH07)

Drug Name
1-methylcyclopropanecarboxylic acid
Synonyms
1-Methylcyclopropane-1-carboxylic acid; 6914-76-7; 1-Methylcyclopropanecarboxylic acid; 1-Methyl-cyclopropanecarboxylic acid; Cyclopropanecarboxylic acid, 1-methyl-; DIZKLZKLNKQFGB-UHFFFAOYSA-N; Cyclopropanecarboxylicacid, 1-methyl-; 1-Methylcyclopropanecarboxylic acid, 98%; EINECS 230-020-7; PubChem16037; AC1Q5TAN; AC1Q2CXA; 1-methylcyclopropanoic acid; ACMC-209o6g; SCHEMBL113962; 1-Carboxy-1-methylcyclopropane; GTPL6500; DIZKLZKLNKQFGB-UHFFFAOYSA-; CTK2F4732; Methyl-cyclopropanecarboxylic acid; DTXSID50219201
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 100.12
Logarithm of the Partition Coefficient (xlogp) 0.6
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C5H8O2
IUPAC Name
1-methylcyclopropane-1-carboxylic acid
Canonical SMILES
CC1(CC1)C(=O)O
InChI
InChI=1S/C5H8O2/c1-5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7)
InChIKey
DIZKLZKLNKQFGB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
81326
ChEBI ID
CHEMBL4516837
CAS Number
6914-76-7
TTD ID
D07FPQ
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Free fatty acid receptor 2 (FFAR2) TT0FYAN FFAR2_HUMAN Agonist [2]
Free fatty acid receptor 3 (FFAR3) TTXDOHN FFAR3_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6500).
2 Selective orthosteric free fatty acid receptor 2 (FFA2) agonists: identification of the structural and chemical requirements for selective activation of FFA2 versus FFA3. J Biol Chem. 2011 Mar 25;286(12):10628-40.