General Information of the Compound
Compound ID
CP0120604
Compound Name
ABT-348
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Synonyms
1227939-82-3
6L5D03D975
A-968660
A-968660.0
ABT 348
ABT-348
ABT348
Abbott-969660
BCP07256
BDBM50381716
CHEMBL1980297
CS-6804
D10423
DB11694
DTXSID10153718
GTPL9914
HY-16018
ILORASERTIB
Ilorasertib (USAN)
Ilorasertib [USAN:INN]
KB-74395
Kinome_405
N-(4-{4-amino-7-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl}phenyl)-N'-(3-fluorophenyl)urea
SB16853
SCHEMBL3381224
UNII-6L5D03D975
US8722890, 1
US8722890, 2
WPHKIQPVPYJNAX-UHFFFAOYSA-N
Z-3287
ZINC63298074
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Structure
Formula
C25H21FN6O2S
Molecular Weight
488.548
Canonical SMILES
Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
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InChI
InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)
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InChIKey
WPHKIQPVPYJNAX-UHFFFAOYSA-N
CAS
1227939-82-3
Physicochemical Property
logP
5.1844
Rotatable Bonds
6
Heavy Atom Count
35
Polar Areas
118.09
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
Complexity
35

"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: 46207586
SID: 96061827
ChEMBL ID
CHEMBL1980297
DrugBank ID
DB11694
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: PT00864, Vascular endothelial growth factor receptor 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3
 Cell Line Info 
Mus musculus (Mouse)  1
1
IC50 = 3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2 nM
2 IC50 = 4 nM
Clinical Information about the Compound
Drug 1 ( ABT-348 )
Drug Name ABT-348
Company Abbott Laboratories Abbott
Indication
Haematological malignancy
Phase 2
Target(s)
Aurora kinase C (AURKC)
 Target Info 
Modulator
Aurora kinase A (AURKA)
 Target Info 
Modulator
Aurora kinase B (AURKB)
 Target Info 
Modulator