Details of the Drug

General Information of Drug (ID: DM0AIOW)

Drug Name

5-methyl nicotinic acid

Synonyms

5-Methylnicotinic acid; 3222-49-9; 5-methylpyridine-3-carboxylic acid; 5-Methyl-nicotinic acid; 5-methyl nicotinic acid; CHEMBL247132; DJDHHXDFKSLEQY-UHFFFAOYSA-N; MFCD00829036; 3-Pyridinecarboxylic acid, 5-methyl-; 5-METHYL-3-PYRIDINECARBOXYLIC ACID; 5-Methylnicotinic acid, 97%; 5-methyinicotinic acid; PubChem11961; ACMC-1AFVP; 5-methyl nicotinic aicd; EC 608-720-2; AC1L5U3L; Nicotinic acid, 5-methyl-; AC1Q5UC0; NCIOpen2_001043; 5-METHYLNICOTIC ACID; KSC222G7T; SCHEMBL185789; GTPL1592; Jsp005966; CTK1C2379; DTXSID60292444

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

137.14

Logarithm of the Partition Coefficient (xlogp)

0.7

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C7H7NO2
IUPAC Name: 5-methylpyridine-3-carboxylic acid
Canonical SMILES: CC1=CC(=CN=C1)C(=O)O
InChI: InChI=1S/C7H7NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-4H,1H3,(H,9,10)
InChIKey: DJDHHXDFKSLEQY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 256208
CAS Number: 3222-49-9
TTD ID: D0ET2F

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nicotinic acid receptor (HCAR2)	TTWNV8U	HCAR2_HUMAN	Agonist	[2]

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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: 1592).
2	Molecular identification of high and low affinity receptors for nicotinic acid. J Biol Chem. 2003 Mar 14;278(11):9869-74.