COPANLISIB

Search structure
Synonyms:
Status: Approved (2017)
Entry Type: Small molecule
Molecule Category: UKNOWN
ATC: L01EM02
UNII: WI6V529FZ9

Structure
InChI Key PZBCKZWLPGJMAO-UHFFFAOYSA-N
Smile COc1c(OCCCN2CCOCC2)ccc2c1N=C(NC(=O)c1cnc(N)nc1)N1CCN=C21
InChI
InChI=1S/C23H28N8O4/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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H28N8O4
Molecular Weight 480.53
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

Action Mechanism of Action Reference
INHIBITOR PI3-kinase p110-alpha subunit inhibitor PubMed FDA PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family Atypical protein kinase FRAP subfamily
- 45-45 - - -
Enzyme Transferase
- 1-6 - - -
Enzyme
- 1-6 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 4 D009369 ClinicalTrials
Lymphoma, Non-Hodgkin 3 D008228 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Lymphoma, Mantle-Cell 2 D020522 ClinicalTrials
Lymphoma, Large B-Cell, Diffuse 2 D016403 ClinicalTrials
Gallbladder Neoplasms 2 D005706 ClinicalTrials
Cholangiocarcinoma 2 D018281 ClinicalTrials
Lymphoma, Follicular 2 D008224 ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-Cell 2 D015451 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Lymphoma, Follicular 2 D008224 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials
Carcinoma, Squamous Cell 1 D002294 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 1 D064129 ClinicalTrials
Renal Insufficiency 1 D051437 ClinicalTrials
Colonic Neoplasms 1 D003110 ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-Lymphoma 0 D054198 ClinicalTrials

Cross References

Resources Reference
ChEBI 173077
ChEMBL CHEMBL3218576
DrugBank DB12483
DrugCentral 5256
EPA CompTox DTXSID00145728
FDA SRS WI6V529FZ9
Guide to Pharmacology 7875
PDB 6E2
SureChEMBL SCHEMBL1655478
ZINC ZINC000068247389
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