General Information of the Compound
Compound ID
CP0183266
Compound Name
2,2,4,4-tetramethyl-6-(1,8-naphthyridin-4-yl)-1,7,8,9-tetrahydrocyclopenta[h]quinolin-3-one
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Structure
Formula
C24H25N3O
Molecular Weight
371.484
Canonical SMILES
CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1ccnc2ncccc12
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InChI
InChI=1S/C24H25N3O/c1-23(2)19-13-18(15-10-12-26-21-17(15)9-6-11-25-21)14-7-5-8-16(14)20(19)27-24(3,4)22(23)28/h6,9-13,27H,5,7-8H2,1-4H3
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InChIKey
FTBHWGQLEZPPMF-UHFFFAOYSA-N
Physicochemical Property
logP
4.8363
Rotatable Bonds
1
Heavy Atom Count
28
Polar Areas
54.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 59233337
ChEMBL ID
CHEMBL3582125
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: PT00967, Glucocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 53 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 35 nM