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
CHEMBL39922
UNII
B083J4KF7F
DrugBank ID
DB01996
TTD ID
D0JM0Z
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) 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.