General Information of the Compound
Compound ID
CP0888597
Compound Name
N-ethyl-1,2-dimethyl-6-(methylimino)-N-phenyl-1,6-dihydropyrimidin-4-amine hydrochloride
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Synonyms
AC1L3XOD
AKOS027381051
GTPL2359
N-Ethyl-1,6-dihydro-1,2-dimethyl-6-(methylimino)-N-phenyl-4-pyrimidinamine
N-ethyl-1,2-dimethyl-6-methylimino-N-phenylpyrimidin-4-amine
SCHEMBL9380740
ZD-7288
ZINC100058922
ZINC255004003
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Structure
Formula
C15H21ClN4
Molecular Weight
292.814
Canonical SMILES
CCN(c1ccccc1)c1cc(NC)[n+](C)c(C)n1.[Cl-]
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InChI
InChI=1S/C15H20N4.ClH/c1-5-19(13-9-7-6-8-10-13)15-11-14(16-3)18(4)12(2)17-15;/h6-11H,5H2,1-4H3;1H
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InChIKey
DUWKUHWHTPRMAP-UHFFFAOYSA-N
Physicochemical Property
logP
-0.58178
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
32.04
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 9796088
SID: 14751390
ChEMBL ID
CHEMBL2052019
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT05165, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 158.49 nM
   TI
   LI
   LO
   TS
Protein ID: PT03089, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 31.62 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( ZD-7288 )
Drug Name ZD-7288
Company Zeneca Group plc
Indication
Angina pectoris
Phase 2