General Information of the Compound
Compound ID
CP0015547
Compound Name
CGP-57380
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Synonyms
2314AH
4-Amino-5-(4-fluoroanilino)-pyrazolo[3,4-d]pyrimidine
522629-08-9
AKOS024457265
BDBM50130693
BDBM50298223
C11H9FN6
CCG-206868
CGP 57380
CGP-57380
CGP57380
CHEBI:92749
CHEMBL1240885
CHEMBL576817
DTXSID50469941
GTPL6010
HMS3229K20
HMS3263L14
HMS3269P13
HMS3648M14
HMS3653G22
IN1236
LP01256
MFCD03861062
MNK1 Inhibitor
MolPort-006-725-822
N3-(4-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidine-3,4-diamine
NCGC00162380-06
NSC-741567
NSC741567
SCHEMBL16714452
SCHEMBL987991
Tox21_501256
ZINC13816313
s7421
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Structure
Formula
C11H9FN6
Molecular Weight
244.233
Canonical SMILES
Nc1ncnc2n[nH]c(Nc3ccc(F)cc3)c12
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InChI
InChI=1S/C11H9FN6/c12-6-1-3-7(4-2-6)16-11-8-9(13)14-5-15-10(8)17-18-11/h1-5H,(H4,13,14,15,16,17,18)
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InChIKey
UQPMANVRZYYQMD-UHFFFAOYSA-N
Physicochemical Property
logP
1.8178
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
92.51
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
18

"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: 11644425
SID: 16747733
ChEMBL ID
CHEMBL1240885
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: PT01065, Serine/threonine-protein kinase mTOR
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 5211.9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( CGP-57380 )
Drug Name CGP-57380
Target(s)
Aurora B messenger RNA (AURKB mRNA)
 Target Info 
Inhibitor
Serine/threonine-protein kinase Sgk1 (SGK1)
 Target Info 
Inhibitor
LCK tyrosine protein kinase (LCK)
 Target Info 
Inhibitor