Details of the Drug

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
ChEBI ID
CHEMBL1459962
CAS Number
5465-86-1
TTD ID
D0G8FT
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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
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.