SAPANISERTIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: JGH0DF1U03

Structure
InChI Key GYLDXIAOMVERTK-UHFFFAOYSA-N
Smile CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21
InChI
InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H15N7O
Molecular Weight 309.33
AlogP 2.38
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 121.67
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Serine/threonine-protein kinase mTOR inhibitor PubMed PubMed
Primary Target
mechanistic target of rapamycin kinase
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
- 1 0 1-1 -
Enzyme Transferase
- - 15 28 -
Other cytosolic protein
- 5 - - -
Unclassified protein
- 1 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Endometrial Neoplasms 2 D016889 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Leukemia, Biphenotypic, Acute 2 D015456 ClinicalTrials
Carcinoma, Squamous Cell 2 D002294 ClinicalTrials
Carcinoma, Islet Cell 2 D018273 ClinicalTrials
Neuroendocrine Tumors 2 D018358 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials
Thyroid Neoplasms 2 D013964 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Waldenstrom Macroglobulinemia 1 D008258 ClinicalTrials
Carcinoma, Merkel Cell 1 D015266 ClinicalTrials
Carcinoma, Hepatocellular 1 D006528 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Fallopian Tube Neoplasms 1 D005185 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials
Gliosarcoma 1 D018316 ClinicalTrials
Cystadenoma, Serous 1 D018293 ClinicalTrials
Carcinoma, Endometrioid 1 D018269 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1224844-38-5
ChEBI 91450
ChEMBL CHEMBL3545097
DrugBank DB11836
FDA SRS JGH0DF1U03
Guide to Pharmacology 7933
PDB FE5
PubChem 45375953
SureChEMBL SCHEMBL7902875
ZINC ZINC000073069271
CONTENTS