Details of the Drug

General Information of Drug (ID: DMTJOWH)

Drug Name

CP-339818

Synonyms

CHEMBL281622; AC1LCVJB; CP 339818; Tocris-1399; C13847; (1-Benzyl-1H-quinolin-4-ylidene)-pentyl-amine; SureCN12648579; GTPL2558; SCHEMBL12648579; CHEBI:34602; 1-benzyl-N-pentylquinolin-4-imine; 1-benzyl-N-pentyl-quinolin-4-imine; ZINC17919916; BDBM50083523; ZINC100002080; ZINC253533285; NCGC00025144-01; AJ-70179; CP339818; AJ-70180; N-pentyl-1-(phenylmethyl)quinolin-4-imine

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

304.4

Logarithm of the Partition Coefficient (xlogp)

5.1

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C21H24N2
IUPAC Name: 1-benzyl-N-pentylquinolin-4-imine
Canonical SMILES: CCCCCN=C1C=CN(C2=CC=CC=C12)CC3=CC=CC=C3
InChI: InChI=1S/C21H24N2/c1-2-3-9-15-22-20-14-16-23(17-18-10-5-4-6-11-18)21-13-8-7-12-19(20)21/h4-8,10-14,16H,2-3,9,15,17H2,1H3
InChIKey: MMGAVKCAGQCFHS-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 656767
ChEBI ID: CHEBI:34602
CAS Number: 185855-91-8
TTD ID: D0E9MC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated potassium channel Kv1.3 (KCNA3)	TTY3UE6	KCNA3_HUMAN	Inhibitor	[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: 2558).
2	Angular methoxy-substituted furo- and pyranoquinolinones as blockers of the voltage-gated potassium channel Kv1.3. J Med Chem. 2001 Apr 12;44(8):1249-56.