General Information of the Compound
Compound ID
CP0371857
Compound Name
11-methyl-6,11-dihydro-5H-benzo[a]carbazol-9-ol
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Synonyms
11-methyl-6,11-dihydro-5H-benzo[a]carbazol-9-ol
CHEMBL207706
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Structure
Formula
C17H15NO
Molecular Weight
249.313
Canonical SMILES
Cn1c-2c(CCc3ccccc-23)c2ccc(O)cc12
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InChI
InChI=1S/C17H15NO/c1-18-16-10-12(19)7-9-14(16)15-8-6-11-4-2-3-5-13(11)17(15)18/h2-5,7,9-10,19H,6,8H2,1H3
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InChIKey
MZXLONQJNNQZJT-UHFFFAOYSA-N
Physicochemical Property
logP
3.6495
Rotatable Bonds
0
Heavy Atom Count
19
Polar Areas
25.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 44411876
ChEMBL ID
CHEMBL207706
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 = 30 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 11-methyl-6,11-dihydro-5H-benzo[a]carbazol-9-ol )
Drug Name 11-methyl-6,11-dihydro-5H-benzo[a]carbazol-9-ol
Target(s)
Androgen receptor (AR)
Inhibitor