General Information of the Compound
Compound ID
CP0659414
Compound Name
N-(5-methyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-styrylpyrimidin-4-amine
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Synonyms
(E)-N-(5-Methyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-styrylpyrimidin-4-amine
6-(4-METHYL-1-PIPERAZINYL)-N-(5-METHYL-1H-PYRAZOL-3-YL)-2-[(1E)-2-PHENYLETHENYL]-4-PYRIMIDINAMINE
6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine
934353-76-1
AOB87159
CHEMBL482968
DTXSID60239430
ENMD 2076
ENMD-2076
ENMD-981693
ENMD2076
ENND-2076
EX-A235
GTPL7885
J6U9WP10T7
MLS006011042
MolPort-009-679-391
SCHEMBL10122872
SCHEMBL15668060
SCHEMBL596481
UNII-J6U9WP10T7
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Structure
Formula
C21H25N7
Molecular Weight
375.48
Canonical SMILES
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3ccccc3)n2)n[nH]1
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InChI
InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)/b9-8+
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InChIKey
BLQYVHBZHAISJM-CMDGGOBGSA-N
CAS
934353-76-1
Physicochemical Property
logP
3.17392
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
72.97
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 16041424
SID: 24425674
ChEMBL ID
CHEMBL482968
DrugBank ID
DB16891
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: PT01411, Fibroblast growth factor receptor 3
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3
 Cell Line Info 
Mus musculus (Mouse)  2
1
GI50 = 343 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
GI50 = 450 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( ENMD-2076 )
Drug Name ENMD-2076
Company Entremed
Indication
Acute myeloid leukaemia
Phase 2
Fibrolamellar liver cancer
Phase 2
Triple negative breast cancer
Phase 2
Hepatocellular carcinoma
Phase 1
Target(s)
Aurora kinase A (AURKA)
 Target Info 
Inhibitor