PILARALISIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 60ES45KTMK

Structure
InChI Key MQMKRQLTIWPEDM-UHFFFAOYSA-N
Smile Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc3nsnc3c2)cc1
InChI
InChI=1S/C21H16N6O2S2/c1-13-6-9-15(10-7-13)31(28,29)27-21-20(23-16-4-2-3-5-17(16)24-21)22-14-8-11-18-19(12-14)26-30-25-18/h2-12H,1H3,(H,22,23)(H,24,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H25ClN6O4S
Molecular Weight 541.03
AlogP 4.51
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 148.33
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 37.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR PI3-kinase class I inhibitor PubMed PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family
- 4800 - - -
Enzyme Transferase
- 23-383 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Endometrial Neoplasms 2 D016889 ClinicalTrials
Endometrial Neoplasms 2 D016889 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3360203
DrugBank DB11772
FDA SRS 60ES45KTMK
PubChem 56599306
SureChEMBL SCHEMBL189422
ZINC ZINC000100472223
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