COPANLISIB HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII 03ZI7RZ52O
Parent Compound:

Structure

InChI Key STGQPVQAAFJJFX-UHFFFAOYSA-N
Smiles COc1c(OCCCN2CCOCC2)ccc2c1N=C(NC(=O)c1cnc(N)nc1)N1CCN=C21.Cl.Cl
InChI
InChI=1S/C23H28N8O4.2ClH/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15;;/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32);2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H30Cl2N8O4
Molecular Weight 553.45
AlogP 0.66
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 139.79
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 35.0

Pharmacology

Mechanism of Action Action Reference
PI3-kinase p110-alpha subunit inhibitor INHIBITOR FDA PubMed PubMed

Target Conservation

Protein: PI3-kinase p110-delta subunit
Description: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Organism : Homo sapiens
O00329 ENSG00000171608
Protein: PI3-kinase p110-alpha subunit
Description: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Organism : Homo sapiens
P42336 ENSG00000121879

Cross References

Resources Reference
ChEBI 173081
ChEMBL CHEMBL3545068
FDA SRS 03ZI7RZ52O
PubChem 66562429
SureChEMBL SCHEMBL12971151
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