General Information of the Compound
Compound ID
CP0055221
Compound Name
Famprofazone
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Structure
Formula
C24H31N3O
Molecular Weight
377.532
Canonical SMILES
CC(C)c1c(CN(C)C(C)Cc2ccccc2)n(C)n(-c2ccccc2)c1=O
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InChI
InChI=1S/C24H31N3O/c1-18(2)23-22(17-25(4)19(3)16-20-12-8-6-9-13-20)26(5)27(24(23)28)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3
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InChIKey
GNUXVOXXWGNPIV-UHFFFAOYSA-N
CAS
22881-35-2
Physicochemical Property
logP
4.3624
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
30.17
Hydrogen Bond Donor Count
0
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: 3326
SID: 15375587
ChEMBL ID
CHEMBL1475693
DrugBank ID
DB16702
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: PT01552, Nuclear receptor subfamily 1 group I member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000514 DPX2 Homo sapiens (Human)  2
1
EC50 = 3100 nM
   TI
   LI
   LO
   TS
2
EC50 = 5100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 1300 nM
Protein ID: PT04880, Nuclear receptor subfamily 1 group I member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 9800 nM
   TI
   LI
   LO
   TS