General Information of the Compound
Compound ID
CP0439381
Compound Name
6,11-dihydrothiochromeno[4,3-b]indol-8-ol
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Synonyms
6,11-dihydrothiochromeno[4,3-b]indol-8-ol
BDBM50185203
BVGUKMAMOJMOFD-UHFFFAOYSA-N
CHEMBL210924
SCHEMBL1986592
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Structure
Formula
C15H11NOS
Molecular Weight
253.326
Canonical SMILES
Oc1ccc2[nH]c-3c(CSc4ccccc-34)c2c1
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InChI
InChI=1S/C15H11NOS/c17-9-5-6-13-11(7-9)12-8-18-14-4-2-1-3-10(14)15(12)16-13/h1-7,16-17H,8H2
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InChIKey
BVGUKMAMOJMOFD-UHFFFAOYSA-N
Physicochemical Property
logP
4.1462
Rotatable Bonds
0
Heavy Atom Count
18
Polar Areas
36.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 44411868
ChEMBL ID
CHEMBL210924
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: PT01486, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 4500 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 6,11-dihydrothiochromeno[4,3-b]indol-8-ol )
Drug Name 6,11-dihydrothiochromeno[4,3-b]indol-8-ol
Target(s)
Androgen receptor (AR)
Inhibitor