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

Topological Polar Surface Area (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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.
3	Clinical pipeline report, company report or official report of Boehringer Ingelheim.
4	Block of TRPC5 channels by 2-aminoethoxydiphenyl borate: a differential, extracellular and voltage-dependent effect. Br J Pharmacol. 2005 Jun;145(4):405-14.
5	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. (Target id: 490).
6	The Na+/Ca2+ exchange inhibitor KB-R7943 potently blocks TRPC channels. Biochem Biophys Res Commun. 2007 Sep 14;361(1):230-6.
7	Bromoenol lactone inhibits voltage-gated Ca2+ and transient receptor potential canonical channels. J Pharmacol Exp Ther. 2011 Nov;339(2):329-40.
8	(-)-Englerin is a potent and selective activator of TRPC4 and TRPC5 calcium channels. Angew Chem Int Ed Engl. 2015 Mar 16;54(12):3787-91.
9	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. (Target id: 489).