General Information of Drug (ID: DM15YL0)

Drug Name
ML204
Synonyms
5465-86-1; ML204; ML 204; 4-methyl-2-(piperidin-1-yl)quinoline; 4-Methyl-2-(1-piperidinyl)-quinoline; 4-methyl-2-piperidin-1-ylquinoline; 4-Methyl-2-(1-piperidinyl)quinoline; VU0024172-3; NSC25850; AC1Q4W9R; Cambridge id 5563912; AC1L5K4A; MLS001007138; 4-methyl-2-piperidylquinoline; 4-methyl-2-piperidinoquinoline; 2-Piperidino-4-methylquinoline; GTPL4255; cid_230710; 4-methyl-2-piperidino-quinoline; SCHEMBL14975993; CHEMBL1459962; CTK5A2131; BDBM77617; DTXSID30282438; EX-A938; AOB1526; MolPort-000-220-757; HMS2704E20; BCP28617
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) 226.32
Logarithm of the Partition Coefficient (xlogp) 3.9
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C15H18N2
IUPAC Name
4-methyl-2-piperidin-1-ylquinoline
Canonical SMILES
CC1=CC(=NC2=CC=CC=C12)N3CCCCC3
InChI
InChI=1S/C15H18N2/c1-12-11-15(17-9-5-2-6-10-17)16-14-8-4-3-7-13(12)14/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKey
USYRQXDHKXGTCK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
230710
CAS Number
5465-86-1
TTD ID
D0G8FT

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Short transient receptor potential channel 4 (TRPC4) TTX0H5W TRPC4_HUMAN Blocker (channel blocker) [2]
Short transient receptor potential channel 5 (TRPC5) TT32NQ1 TRPC5_HUMAN Blocker (channel blocker) [2]
Molecular Interaction Atlas (MIA) 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: 4255).
2 Identification of ML204, a novel potent antagonist that selectively modulates native TRPC4/C5 ion channels. J Biol Chem. 2011 Sep 23;286(38):33436-46.