Compound Detail
CHEMBL521851
PICTILISIB 🧪 Phase II
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🧪 Phase II
CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1
Basic Information
| ChEMBL ID | CHEMBL521851 |
| Name | PICTILISIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | LHNIIDJUOCFXAP-UHFFFAOYSA-N |
553
Targets
840
Activities
4
Assay Types
9
PK Parameters
20
Publications
6
Known Names
5
Indications
1
Mechanisms
Molecular Properties
513.6
MW (Da)
2.15
ALogP
9
HBA
1
HBD
107.5
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| PI3-kinase class I inhibitor | INHIBITOR | PI3-kinase class I | ✓ | ✓ |
Indications
Breast Neoplasms Carcinoma, Non-Small-Cell Lung Lymphoma, Non-Hodgkin Neoplasms Neoplasms
Activity Summary
IC50 739 meas. best 10.0
Kd 76 meas. best 9.12
Ki 19 meas. best 8.85
EC50 6 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 10.0 | 8.2056 | 0.1 | 32 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | Kd | 9.12 | 8.7433 | 0.8 | 12 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | Ki | 8.85 | 8.3467 | 1.4 | 3 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | Ki | 8.81 | 7.9 | 1.5 | 3 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | Kd | 8.68 | 8.3867 | 2.1 | 3 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | Ki | 8.59 | 8.39 | 2.6 | 3 |
| Unchecked CHEMBL612545 | Ki | 8.59 | 8.59 | 2.6 | 1 |
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 8.52 | 6.4618 | 3.0 | 11 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 8.52 | 8.1472 | 3.0 | 18 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 8.52 | 7.3756 | 3.0 | 16 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 8.52 | 7.0912 | 3.0 | 17 |
| Unchecked CHEMBL612545 | IC50 | 8.52 | 6.38 | 3.0 | 11 |
| PI3-kinase p110-delta/p85-alpha CHEMBL2111432 | IC50 | 8.48 | 7.56 | 3.3 | 3 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | Kd | 8.48 | 8.42 | 3.3 | 3 |
| PI3-kinase p110-alpha/p85-alpha CHEMBL2111367 | IC50 | 8.32 | 7.796 | 4.8 | 5 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | Kd | 8.11 | 7.8467 | 7.7 | 3 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 7.55 | 7.44 | 28.0 | 3 |
| SU-DHL-6 CHEMBL4296496 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta CHEMBL5554 | Kd | 7.4 | 7.23 | 40.0 | 3 |
| Serine/threonine-protein kinase mTOR CHEMBL2842 | Kd | 7.32 | 7.1133 | 48.0 | 3 |
| ES5 CHEMBL2366312 | IC50 | 7.3 | 7.3 | 50.2 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL5169092 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
| PI3K p110 beta/p85 alpha CHEMBL3038510 | IC50 | 7.27 | 7.12 | 54.0 | 2 |
| MCF7 CHEMBL387 | IC50 | 7.16 | 6.2417 | 70.0 | 6 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | Ki | 7.15 | 7.15 | 70.2 | 1 |
| Phosphatidylinositol 3-kinase regulatory subunit beta CHEMBL4437 | Ki | 7.15 | 7.15 | 70.2 | 1 |
| MM1.S CHEMBL4296471 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| HH CHEMBL2366310 | IC50 | 6.95 | 6.95 | 111.1 | 1 |
| MHH-PREB-1 CHEMBL2366127 | IC50 | 6.94 | 6.94 | 114.3 | 1 |
| PI3-kinase subunit gamma/Phosphoinositide 3-kinase regulatory subunit 5 CHEMBL3430881 | IC50 | 6.93 | 6.93 | 117.0 | 1 |
| NCI-H1770 CHEMBL2366171 | IC50 | 6.91 | 6.91 | 123.9 | 1 |
| A2780 CHEMBL614004 | IC50 | 6.85 | 6.105 | 140.0 | 2 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3608198 | IC50 | 6.84 | 6.84 | 146.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.77 | 6.77 | 170.0 | 1 |
| MOLT-4 CHEMBL614177 | IC50 | 6.75 | 6.48 | 180.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.7 | 6.1831 | 200.0 | 13 |
| HuO9 CHEMBL1075476 | IC50 | 6.69 | 6.69 | 206.0 | 1 |
| HAL-01 CHEMBL2366142 | IC50 | 6.68 | 6.68 | 206.7 | 1 |
| HGC-27 CHEMBL1075463 | IC50 | 6.67 | 6.67 | 212.6 | 1 |
| NOS-1 CHEMBL2366141 | IC50 | 6.67 | 6.67 | 211.8 | 1 |
| NB69 CHEMBL1075510 | IC50 | 6.61 | 6.61 | 245.3 | 1 |
| RS4-11 CHEMBL2366159 | IC50 | 6.58 | 6.58 | 261.8 | 1 |
| NCI-H1975 CHEMBL614348 | IC50 | 6.57 | 6.1133 | 270.0 | 3 |
| PC-3 CHEMBL390 | IC50 | 6.55 | 6.2 | 280.0 | 6 |
| MDA-MB-231 CHEMBL400 | IC50 | 6.55 | 5.5025 | 280.0 | 4 |
| DOK CHEMBL1075435 | IC50 | 6.52 | 6.52 | 301.7 | 1 |
| NCI-H1623 CHEMBL1075517 | IC50 | 6.52 | 6.52 | 304.1 | 1 |
| Phosphatidylinositol 3-kinase C2 domain-containing subunit gamma CHEMBL1163120 | Kd | 6.52 | 6.52 | 300.0 | 1 |
| YH-13 CHEMBL2366164 | IC50 | 6.52 | 6.52 | 304.3 | 1 |
| LB2241-RCC CHEMBL2366330 | IC50 | 6.52 | 6.52 | 303.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 41246.09 | ng.hr.mL-1 | Mus musculus |
| CL | 11.9 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 14.79 | mL.min-1.g-1 | Homo sapiens |
| CL | 33.11 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| F | 77.0 | % | Mus musculus |
| F | 30.0 | % | Rattus norvegicus |
| F | 20.0 | % | Macaca mulatta |
| F | 71.0 | % | Canis lupus familiaris |
| T1/2 | 3.5 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine