General Information of the Compound
Compound ID
CP0567147
Compound Name
5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-3-sulfonamide
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Synonyms
BMS-919373
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Structure
Formula
C25H20N6O2S
Molecular Weight
468.542
Canonical SMILES
NS(=O)(=O)c1cncc(c1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
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InChI
InChI=1S/C25H20N6O2S/c26-34(32,33)20-13-18(14-27-16-20)24-30-22-11-6-10-21(17-7-2-1-3-8-17)23(22)25(31-24)29-15-19-9-4-5-12-28-19/h1-14,16H,15H2,(H2,26,32,33)(H,29,30,31)
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InChIKey
XGKULQQVQWCASY-UHFFFAOYSA-N
CAS
1272353-82-8
Physicochemical Property
logP
4.0133
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
123.75
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
34

"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: 51030730
SID: 117690786
ChEMBL ID
CHEMBL4094440
DrugBank ID
DB15047
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: PT02768, Potassium voltage-gated channel subfamily A member 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000309 NCTC clone 929 Mus musculus (Mouse)  1
1
IC50 = 46 nM
   TI
   LI
   LO
   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1900 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( BMS-919373 )
Drug Name BMS-919373
Company Bristol-myers squibb
Indication
Atrial fibrillation
Phase 2
Target(s)
Voltage-gated potassium channel Kv1.5 (KCNA5)
Inhibitor