Details of the Drug

General Information of Drug (ID: DMKWCTR)

Drug Name
GS-9973
Synonyms
Entospletinib; 1229208-44-9; GS-9973; Entospletinib (GS-9973); gs9973; UNII-6I3O3W6O3B; 6-(1H-Indazol-6-yl)-N-(4-morpholinophenyl)imidazo[1,2-a]pyrazin-8-amine; GS 9973; 6I3O3W6O3B; CHEMBL3265032; C23H21N7O; 6-(1H-Indazol-6-yl)-N-(4-(morpholin-4-yl)phenyl)imidazo(1,2-a)pyrazin-8-amine; Entospletinib [INN]; Entospletinib [USAN:INN]; 4puz; 6-(1h-Indazol-6-Yl)-N-[4-(Morpholin-4-Yl)phenyl]imidazo[1,2-A]pyrazin-8-Amine; GS-9973; Entospletinib; SCHEMBL2483776; GTPL7889; MolPort-035-395-879; HMS3653D13; EX-A1120; BCP09582; AOB87385
Indication
Disease Entry ICD 11 Status REF
Acute myeloid leukaemia 2A60 Phase 2 [1]
B-cell lymphoma 2A86 Phase 2 [2]
Haematological malignancy 2B33.Y Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 411.5
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C23H21N7O
IUPAC Name
6-(1H-indazol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
Canonical SMILES
C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6
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)
InChIKey
XSMSNFMDVXXHGJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
59473233
ChEBI ID
CHEMBL3265032
CAS Number
1229208-44-9
UNII
6I3O3W6O3B
DrugBank ID
DB12121
TTD ID
D0G9AW
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Tyrosine-protein kinase SYK (SYK) TTOU65C KSYK_HUMAN Modulator [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Acute myeloid leukaemia
ICD Disease Classification 2A60
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Tyrosine-protein kinase SYK (SYK) DTT SYK 5.20E-02 -0.57 -0.67
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7889).
3 An open-label phase 2 trial of entospletinib (GS-9973), a selective spleen tyrosine kinase inhibitor, in chronic lymphocytic leukemia. Blood. 2015 Apr 9;125(15):2336-43.