General Information of the Compound
Compound ID
CP0057741
Compound Name
6-(1H-indazol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
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Synonyms
1229208-44-9
4puz
6-(1H-Indazol-6-yl)-N-(4-(morpholin-4-yl)phenyl)imidazo(1,2-a)pyrazin-8-amine
6-(1H-Indazol-6-yl)-N-(4-morpholinophenyl)imidazo[1,2-a]pyrazin-8-amine
6-(1h-Indazol-6-Yl)-N-[4-(Morpholin-4-Yl)phenyl]imidazo[1,2-A]pyrazin-8-Amine
6I3O3W6O3B
AOB87385
BCP09582
C23H21N7O
CHEMBL3265032
EX-A1120
Entospletinib
Entospletinib (GS-9973)
Entospletinib [INN]
Entospletinib [USAN:INN]
GS 9973
GS-9973
GTPL7889
HMS3653D13
MolPort-035-395-879
SCHEMBL2483776
UNII-6I3O3W6O3B
gs9973
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Structure
Formula
C23H21N7O
Molecular Weight
411.469
Canonical SMILES
C1CN(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1
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InChI
InChI=1S/C23H21N7O/c1-2-17-14-25-28-20(17)13-16(1)21-15-30-8-7-24-23(30)22(27-21)26-18-3-5-19(6-4-18)29-9-11-31-12-10-29/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)
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InChIKey
XSMSNFMDVXXHGJ-UHFFFAOYSA-N
CAS
1229208-44-9
Physicochemical Property
logP
3.8528
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
83.37
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
31

"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: 59473233
ChEMBL ID
CHEMBL3265032
DrugBank ID
DB12121
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: PT01204, Receptor-type tyrosine-protein kinase FLT3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000091 MV4-11 Homo sapiens (Human)  1
1
EC50 = 327 nM
   TI
   LI
   LO
   TS
Protein ID: PT01214, Tyrosine-protein kinase JAK2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000128 TF-1 Homo sapiens (Human)  1
1
EC50 = 453 nM
   TI
   LI
   LO
   TS
Protein ID: PT01441, Tyrosine-protein kinase SYK
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000003 Ramos Homo sapiens (Human)  3
1
EC50 = 2 nM
   TI
   LI
   LO
   TS
2
EC50 = 26 nM
   TI
   LI
   LO
   TS
3
IC50 = 878 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 7.7 nM
2 IC50 = 11 nM
3 IC50 = 16.5 nM
4 IC50 = 82 nM
5 IC50 = 147 nM
6 IC50 = 377 nM
Clinical Information about the Compound
Drug 1 ( GS-9973 )
Drug Name GS-9973
Company Gilead Sciences
Indication
B-cell lymphoma
Phase 2
Acute myeloid leukaemia
Phase 2
Haematological malignancy
Phase 2
Target(s)
Tyrosine-protein kinase SYK (SYK)
Modulator