General Information of the Compound
Compound ID
CP0404664
Compound Name
1,8-Dichloro-10H-anthracen-9-one
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Synonyms
1,8-Dichloro-10H-anthracen-9-one
1,8-Dichloroanthrone
50259-93-3
AC1L9O6M
AC1Q3KGA
AKOS024331862
BDBM50060867
CHEMBL122022
CTK1H2907
DTXSID70329816
MCULE-9362278595
NSC-162539
NSC162539
SCHEMBL7103871
ZINC393214
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Structure
Formula
C14H8Cl2O
Molecular Weight
263.123
Canonical SMILES
Clc1cccc2Cc3cccc(Cl)c3C(=O)c12
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InChI
InChI=1S/C14H8Cl2O/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6H,7H2
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InChIKey
AYDNUUZHQKPRKA-UHFFFAOYSA-N
CAS
50259-93-3
Physicochemical Property
logP
4.1286
Rotatable Bonds
0
Heavy Atom Count
17
Polar Areas
17.07
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
17

"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: 424114
SID: 16314530
ChEMBL ID
CHEMBL122022
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: PT00205, 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000831 PMNL Homo sapiens (Human)  1
1
IC50 = 4000 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000150 HaCaT Homo sapiens (Human)  1
1
IC50 > 5000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1,8-Dichloro-10H-anthracen-9-one )
Drug Name 1,8-Dichloro-10H-anthracen-9-one
Target(s)
Arachidonate 5-lipoxygenase (5-LOX)
Inhibitor