General Information of the Compound
Compound ID
CP0006394
Compound Name
4,5-dianilinophthalimide
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Synonyms
CGP-52411
DAPH
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Structure
Formula
C20H15N3O2
Molecular Weight
329.359
Canonical SMILES
O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc12
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InChI
InChI=1S/C20H15N3O2/c24-19-15-11-17(21-13-7-3-1-4-8-13)18(12-16(15)20(25)23-19)22-14-9-5-2-6-10-14/h1-12,21-22H,(H,23,24,25)
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InChIKey
AAALVYBICLMAMA-UHFFFAOYSA-N
Physicochemical Property
logP
4.0574
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
70.23
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 1697
SID: 12014759
ChEMBL ID
CHEMBL268868
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: PT00922, Epidermal growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000052 A-431 Homo sapiens (Human)  1
1
IC50 > 4500 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 300 nM
2 Ki = 160 nM
Clinical Information about the Compound
Drug 1 ( CGP-52411 )
Drug Name CGP-52411
Company Novartis AG
Indication
Solid tumour/cancer
Terminated
Target(s)
Epidermal growth factor receptor (EGFR)
Inhibitor