Details of the Drug

General Information of Drug (ID: DMUVAIF)

Drug Name

ISONICOTINIC ACID

Synonyms

ISONICOTINIC ACID; 55-22-1; Pyridine-4-carboxylic acid; 4-Pyridinecarboxylic acid; 4-Picolinic acid; 4-Carboxypyridine; p-Pyridinecarboxylic acid; gamma-Picolinic acid; gamma-Pyridinecarboxylic acid; Acide iso-nicotinique; 1,4-Dihydroisonicotinic acid; Acide iso-nicotinique [French]; UNII-Y8SYN761TQ; AI3-19239; .gamma.-Picolinic acid; NSC 1483; Isonicotinic acid, 99%; EINECS 200-228-2; Y8SYN761TQ; CHEBI:6032; TWBYWOBDOCUKOW-UHFFFAOYSA-N; MFCD00006429; g-picolinic acid; Isonicotinic Acids; isonicotinicacid; isonicotonic acid; MN1

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

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

123.11

Logarithm of the Partition Coefficient (xlogp)

0.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C6H5NO2
IUPAC Name: pyridine-4-carboxylic acid
Canonical SMILES: C1=CN=CC=C1C(=O)O
InChI: InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)
InChIKey: TWBYWOBDOCUKOW-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5922
ChEBI ID: CHEBI:6032
CAS Number: 55-22-1
TTD ID: D0W5CQ

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	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (CD38)	OTG0TTX7	CD38_HUMAN	Gene/Protein Processing	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Pyrazole derivatives as partial agonists for the nicotinic acid receptor. J Med Chem. 2003 Aug 28;46(18):3945-51.
2	Expression of CD38 in human promyelocytic leukemia HL-60 cell line during differentiation by niacin-related compounds. Biosci Biotechnol Biochem. 2003 Aug;67(8):1836-9. doi: 10.1271/bbb.67.1836.