General Information of the Compound
Compound ID
CP0134882
Compound Name
11-Ethyl-1,3,3-trimethyl-4,11-dihydro-3H-pyrido[3,2-a]carbazole
    Show/Hide
Structure
Formula
C20H22N2
Molecular Weight
290.41
Canonical SMILES
CCn1c2ccccc2c2ccc3NC(C)(C)C=C(C)c3c12
    Show/Hide
InChI
InChI=1S/C20H22N2/c1-5-22-17-9-7-6-8-14(17)15-10-11-16-18(19(15)22)13(2)12-20(3,4)21-16/h6-12,21H,5H2,1-4H3
    Show/Hide
InChIKey
XIEIFFBKPGJSCW-UHFFFAOYSA-N
Physicochemical Property
logP
5.4218
Rotatable Bonds
1
Heavy Atom Count
22
Polar Areas
16.96
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 15458747
ChEMBL ID
CHEMBL91858
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: PT01172, Progesterone receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 284 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 169 nM
2 Ki = 169.82 nM