PICTILISIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: ICY00EMP8P

Structure
InChI Key LHNIIDJUOCFXAP-UHFFFAOYSA-N
Smile CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1
InChI
InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H27N7O3S2
Molecular Weight 513.65
AlogP 2.15
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 107.55
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR PI3-kinase class I inhibitor PubMed PubMed
Primary Target
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 AGC protein kinase group AGC protein kinase AKT family
- 28-46 - - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase RSK subfamily
- - 3000 - -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family Atypical protein kinase FRAP subfamily
- 3-959 48-200 570-580 -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family
- 3-959 48-200 570-580 -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase RIO family Atypical protein kinase RIO2 subfamily
- - 670 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase MELK subfamily
- - 5700 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family
- - 4700 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase DAPK family
- - 1800 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase MLCK family
- - 780 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase RSKb subfamily
- - 3000 - -
Enzyme Kinase Protein Kinase CK1 protein kinase group CK1 protein kinase CK1 family
- - 1200 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase PCTAIRE
- - 4600 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase TAIRE subfamily
- - 1100 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CLK family
- - 1100 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase Dyrk1 subfamily
- - 3800 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase Dyrk2 subfamily
- - 7600 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase HIPK subfamily
- - 1100 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase JNK subfamily
- - 1500 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase RCK family CMGC protein kinase MAK
- - 9300 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CK2 family
- - 2400 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NAK family
- - 1100 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PLK family
- - 2600 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase TTK family
- - 4300 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE11 family
- - 4000 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase IRAK family
- - 1700 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- - 1800 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- - 1800 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- - 710-3900 - 59
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Trk family
- 2850 - - 61
Enzyme Transferase
- 3-251 1-7 3-10 -
Enzyme
- 3-251 1-7 570-580 59
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 64000-64000 - - -
Membrane receptor
- - 1600 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Lymphoma, Non-Hodgkin 1 D008228 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 957054-30-7
ChEBI 65326
ChEMBL CHEMBL521851
DrugBank DB11663
EPA CompTox DTXSID40241930
FDA SRS ICY00EMP8P
Guide to Pharmacology 5682
PDB GD9
PubChem 17755052
SureChEMBL SCHEMBL190812
ZINC ZINC000016052714
CONTENTS