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
CAS Number: 6914-76-7
TTD ID: D07FPQ

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)

MIA Detail

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.