Details of the Drug

General Information of Drug (ID: DMF3JHM)

Drug Name

3-Methylpyridine

Synonyms

3-METHYLPYRIDINE; 3-Picoline; 108-99-6; beta-Picoline; Pyridine, 3-methyl-; m-Picoline; m-Methylpyridine; B-Picoline; beta-Methylpyridine; 3-Methyl pyridine; .beta.-Methylpyridine; NSC 18251; .beta.-Picoline; meta-Methylpyridine; UNII-B083J4KF7F; 3-Mepy; CCRIS 1722; HSDB 4254; EINECS 203-636-9; AI3-24110; B083J4KF7F; 3-Methylpyridin; CHEBI:39922; ITQTTZVARXURQS-UHFFFAOYSA-N; 3-Picoline, 99%; DSSTox_CID_1897; DSSTox_RID_76391; DSSTox_GSID_21897; CAS-108-99-6; bpicolin; 3-methypyridine; 5-methylpyridine; 3-methyl-pyridin; 3-methyl pyridin

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

93.13

Logarithm of the Partition Coefficient (xlogp)

1.2

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C6H7N
IUPAC Name: 3-methylpyridine
Canonical SMILES: CC1=CN=CC=C1
InChI: InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3
InChIKey: ITQTTZVARXURQS-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 7970
ChEBI ID: CHEBI:39922
DrugBank ID: DB01996
TTD ID: D0JM0Z

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Matrix metalloproteinase-13 (MMP-13)	TTHY57M	MMP13_HUMAN	Inhibitor	[1]
Matrix metalloproteinase-3 (MMP-3)	TTUZ2L5	MMP3_HUMAN	Inhibitor	[1]

------------------------------------------------------------------------------------

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Glutathione S-transferase A1 (GSTA1)	OTA7K5XA	GSTA1_HUMAN	Gene/Protein Processing	[2]
Glutathione S-transferase Mu 1 (GSTM1)	OTSBF2MO	GSTM1_HUMAN	Gene/Protein Processing	[2]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2	The influence of picolines on glutathione transferase activity and subunit composition in human liver derived Hep G2 cells. Biochem Pharmacol. 1994 Nov 16;48(10):1976-8.