Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4297615

PARSACLISIB
🧪 Phase III
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
🧪 Phase III
CCOc1c([C@H](C)n2nc(C)c3c(N)ncnc32)cc(Cl)c(F)c1[C@@H]1CNC(=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4297615
Name PARSACLISIB
Phase Phase III
Structure Type MOL
InChI Key ZQPDJCIXJHUERQ-QWRGUYRKSA-N
Therapeutic ✓ Yes

Known Names

INCB-050465 Incb050465 Parsaclisib
5
Targets
11
Activities
1
Assay Types
12
PK Parameters
18
Publications
3
Known Names
17
Indications
1
Mechanisms

Molecular Properties

432.9
MW (Da)
3.12
ALogP
7
HBA
2
HBD
108.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -lisib
USAN Year 2018

Extended Properties

Molecular Formula C20H22ClFN6O2
MW 432.89
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.58

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
PI3-kinase p110-delta subunit inhibitor INHIBITOR Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform ✓ ✓

Indications

Anemia, Hemolytic, Autoimmune Lymphoma, Follicular Lymphoma, Follicular Lymphoma, Mantle-Cell Neoplasms Neoplasms Lymphoma Myeloproliferative Disorders Pemphigus Sjogren's Syndrome Breast Neoplasms Endometrial Neoplasms Leukemia, Lymphocytic, Chronic, B-Cell Lymphoma, Large B-Cell, Diffuse Lymphoma, Non-Hodgkin Lymphoma, T-Cell, Peripheral Melanoma

ATC Classification

L01EM05
parsaclisib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS

Activity Summary

IC50 11 meas. best 9.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
B cell
CHEMBL5314312
 IC50 9.82 9.82 0.1 1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
 IC50 9.0 8.3367 1.0 6
SU-DHL-6
CHEMBL4296496
 IC50 8.8 8.8 1.6 1
Pfeiffer
CHEMBL4296489
 IC50 8.6 8.49 2.5 2
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
 IC50 4.12 4.12 75000.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 11.67 mL.min-1.kg-1 Homo sapiens
CL 26.0 % Rattus norvegicus
CL 2.0 % Canis lupus familiaris
CL 5.0 % Macaca fascicularis
F 74.0 % Rattus norvegicus
F 100.0 % Canis lupus familiaris
F 79.0 % Macaca fascicularis
Fu 0.058 - Homo sapiens
T1/2 4.0 hr Rattus norvegicus
T1/2 7.3 hr Macaca fascicularis
Tmax 0.3 hr Rattus norvegicus
Tmax 2.5 hr Macaca fascicularis

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
B cell IC50 = 0.15 nM 9.82 Cytotoxicity against human B cells 30582813
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform IC50 = 1.0 nM 9.0 Inhibition of PI3Kdelta in human B-cells 30582813
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform IC50 = 1.1 nM 8.96 Inhibition of PI3Kdelta in human Ramos cells assessed as reduction in AKT phosph... 31749910
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform IC50 = 1.1 nM 8.96 Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bis... 31749910
SU-DHL-6 IC50 = 1.6 nM 8.8 Cytotoxicity against human SUDHL6 cells assessed as reduction in cell viability ... 31749910
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform IC50 = 2.0 nM 8.7 Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-IgE a... 31749910
Pfeiffer IC50 = 2.5 nM 8.6 Cytotoxicity against human Pfeiffer cells assessed as reduction in cell viabilit... 31749910
Pfeiffer IC50 = 4.2 nM 8.38 Cytotoxicity against human Pfeiffer cells assessed as reduction in protein bindi... 31749910
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform IC50 = 32.0 nM 7.5 PI3K-delta Scintillation Proximity Assay: [γ-33P]ATP (10 mCi/mL) and Wheat Germ ... -
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform IC50 = 125.0 nM 6.9 Scintillation Proximity Assay: The kinase reaction was conducted in polystyrene ... -
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 75000.0 nM 4.12 Inhibition of human ERG expressed in HEK293 cells by voltage patch clamp assay 31749910

Literature References

PubMed DOI Target Context # Activities
31749910 10.1021/acsmedchemlett.9b00334 ADMET 18
31749910 10.1021/acsmedchemlett.9b00334 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 5
31749910 10.1021/acsmedchemlett.9b00334 Pfeiffer 4
31749910 10.1021/acsmedchemlett.9b00334 Cytochrome P450 3A4 2
31749910 10.1021/acsmedchemlett.9b00334 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1
31749910 10.1021/acsmedchemlett.9b00334 Cytochrome P450 2B6 1
31749910 10.1021/acsmedchemlett.9b00334 Cytochrome P450 1A2 1
31749910 10.1021/acsmedchemlett.9b00334 Cytochrome P450 2C8 1
31749910 10.1021/acsmedchemlett.9b00334 Cytochrome P450 2C9 1
31749910 10.1021/acsmedchemlett.9b00334 Cytochrome P450 2C19 1
31749910 10.1021/acsmedchemlett.9b00334 Cytochrome P450 2D6 1
31749910 10.1021/acsmedchemlett.9b00334 Voltage-gated inwardly rectifying potassium channel KCNH2 1
30582813 10.1021/acs.jmedchem.8b01298 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1
31749910 10.1021/acsmedchemlett.9b00334 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform 1
31749910 10.1021/acsmedchemlett.9b00334 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1
31749910 10.1021/acsmedchemlett.9b00334 No relevant target 1
31749910 10.1021/acsmedchemlett.9b00334 SU-DHL-6 1
30582813 10.1021/acs.jmedchem.8b01298 B cell 1

Data from ChEMBL 36 via Core Engine