General Information of the Compound
Compound ID
CP0136335
Compound Name
2-(4-Amino-phenyl)-benzo[h]chromen-4-one
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Synonyms
2-(4-Amino-phenyl)-benzo[h]chromen-4-one
BDBM50159660
CHEMBL179276
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Structure
Formula
C19H13NO2
Molecular Weight
287.318
Canonical SMILES
Nc1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1
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InChI
InChI=1S/C19H13NO2/c20-14-8-5-13(6-9-14)18-11-17(21)16-10-7-12-3-1-2-4-15(12)19(16)22-18/h1-11H,20H2
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InChIKey
JXHKSKYNJHBJDZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.1954
Rotatable Bonds
1
Heavy Atom Count
22
Polar Areas
56.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 11471732
SID: 16572303
ChEMBL ID
CHEMBL179276
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: PT00955, DNA-dependent protein kinase catalytic subunit
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 7700 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(4-Amino-phenyl)-benzo[h]chromen-4-one )
Drug Name 2-(4-Amino-phenyl)-benzo[h]chromen-4-one
Target(s)
DNA-dependent protein kinase catalytic (PRKDC)
Inhibitor