APITOLISIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1C854K1MIJ

Structure
InChI Key YOVVNQKCSKSHKT-HNNXBMFYSA-N
Smile Cc1c(CN2CCN(C(=O)[C@H](C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12
InChI
InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H30N8O3S
Molecular Weight 498.61
AlogP 0.9
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 133.83
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR PI3-kinase class I inhibitor PubMed PubMed
Primary Target
mechanistic target of rapamycin kinase
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit beta
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma
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
- - 3 17-17 -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family
- - 3 17-17 -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase MLK family TKL protein kinase MLK subfamily
- 232 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 697 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Syk family
- 134 - - -
Enzyme Transferase
- 14-36 1 5 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Endometrial Neoplasms 2 D016889 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Lymphoma, Non-Hodgkin 1 D008228 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 1 D064129 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1032754-93-0
ChEMBL CHEMBL1922094
DrugBank DB12180
EPA CompTox DTXSID50145738
FDA SRS 1C854K1MIJ
Guide to Pharmacology 7888
PDB 980
PubChem 25254071
SureChEMBL SCHEMBL466297
ZINC ZINC000059224388
CONTENTS