Compound Detail

CHEMBL3643413

LENIOLISIB

💊 Approved Drug

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💊 Approved Drug

CCC(=O)N1CC[C@H](Nc2ncnc3c2CN(c2cnc(OC)c(C(F)(F)F)c2)CC3)C1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3643413
Name	LENIOLISIB
Phase	Approved
Structure Type	MOL
InChI Key	MWKYMZXCGYXLPL-ZDUSSCGKSA-N
Therapeutic	✓ Yes

Known Names

Cdz-173 free base CDZ-173-NX Cdz173 free base CDZ173-NX Leniolisib

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

450.5

MW (Da)

2.88

ALogP

HBA

HBD

83.5

PSA (Å²)

0.75

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
First Approval	2023
Availability	Prescription
Chirality	Single Enantiomer

Routes of Administration

Oral

Flags

First in Class Chemical Probe

USAN Stem	-lisib
USAN Year	2016

Extended Properties

Molecular Formula	C21H25F3N6O2
MW	450.47
Aromatic Rings	2
Heavy Atoms	32
NP-Likeness	-1.57

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

Neoplasms

ATC Classification

L03AX22

leniolisib

Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS

Level 2: IMMUNOSTIMULANTS

Activity Summary

IC50 50 meas. best 8.82

EC50 3 meas. best 7.08

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130	IC50	8.82	7.222	1.5	15
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL2216745	IC50	8.15	7.59	7.0	5
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005	IC50	7.12	6.5225	75.5	4
Rattus norvegicus CHEMBL376	EC50	7.08	7.08	83.0	1
Cynomolgus monkey CHEMBL613847	IC50	7.08	7.08	84.0	1
Unchecked CHEMBL612545	EC50	7.08	6.965	83.0	2
Unchecked CHEMBL612545	IC50	7.0	6.94	99.0	3
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145	IC50	6.44	6.0075	363.0	4
SU-DHL-6 CHEMBL4296496	IC50	6.11	6.11	770.0	1
DNA-dependent protein kinase catalytic subunit CHEMBL3142	IC50	6.06	6.06	880.0	2
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267	IC50	6.04	5.845	902.0	2
Rec1 CHEMBL4483266	IC50	5.89	5.89	1280.0	1
Pfeiffer CHEMBL4296489	IC50	5.43	5.43	3750.0	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL2189158	IC50	5.39	5.25	4037.4	2
3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288	IC50	5.33	5.33	4700.0	2
5-hydroxytryptamine receptor 2B CHEMBL1833	IC50	5.11	5.11	7700.0	2
SUD4 CHEMBL613711	IC50	5.08	5.08	8250.0	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL2499	IC50	4.71	4.71	19628.2	1
DOHH-2 CHEMBL2366181	IC50	4.54	4.54	29200.0	1
Z-138 CHEMBL4483276	IC50	4.51	4.51	31190.0	1
JeKo-1 CHEMBL4296445	IC50	4.5	4.5	31660.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
CL	28.0	mL.min-1.kg-1	Rattus norvegicus
CL	2.0	mL.min-1.kg-1	Canis lupus familiaris
CL	17.0	mL.min-1.kg-1	Macaca fascicularis
CL	355.01	mL.min-1.kg-1	Mus musculus
F	86.0	%	Rattus norvegicus
F	100.0	%	Rattus norvegicus
F	58.0	%	Canis lupus familiaris
F	13.0	%	Macaca fascicularis
T1/2	1.8	hr	Rattus norvegicus
T1/2	1.5	hr	Canis lupus familiaris
T1/2	0.7	hr	Macaca fascicularis
T1/2	0.2562	hr	Mus musculus
Tmax	0.4	hr	Rattus norvegicus
Tmax	0.25	hr	Rattus norvegicus
Tmax	0.7	hr	Canis lupus familiaris
Tmax	0.5	hr	Macaca fascicularis

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	1.5	nM	8.82	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after ...	35609190
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	7.0	nM	8.15	Inhibition of PI3Kdelta in mouse B cells assessed as reduction in anti-IgM-induc...	28947947
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	10.0	nM	8.0	Inhibition of PI3Kdelta in anti-CD3/CD28 stimulated mouse CD4-positive T cells a...	28947947
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	11.0	nM	7.96	Inhibition of PI3Kdelta (unknown origin) using phosphatidyl inositol as substrat...	28947947
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	11.0	nM	7.96	Affinity Biochemical interaction: (Adaptatm TR-FRET assay) EUB0000877a PIK3CD	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	23.0	nM	7.64	Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	33.0	nM	7.48	Inhibition of PI3Kdelta in mouse spleen cells assessed as reduction in cell prol...	28947947
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	48.0	nM	7.32	Inhibition of PI3Kdelta in Balb/c mouse splenocytes assessed as reduction in ant...	28947947
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	56.0	nM	7.25	Inhibition of recombinant human myristoylated PI3Kdelta catalytic domain express...	28947947
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	56.0	nM	7.25	Affinity Phenotypic Cellular interaction: (Inhibition of p-AKT(Ser473) formation...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	62.8	nM	7.2	Inhibition of PI3Kdelta in IgM stimulated human Raji cells incubated for 10 mins...	35609190
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	73.0	nM	7.14	Inhibition of PI3Kdelta in anti-CD3/CD28 stimulated human PBMC derived CD4-posit...	28947947
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	IC50	=	75.5	nM	7.12	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after ...	35609190
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	79.0	nM	7.1	Inhibition of PI3Kdelta in human PBMC assessed as reduction in cell proliferatio...	28947947
Cynomolgus monkey	IC50	=	84.0	nM	7.08	Ex-vivo inhibition of PI3Kdelta in po dosed cynomolgus monkey assessed as reduct...	28947947
Unchecked	EC50	=	83.0	nM	7.08	Selectivity interaction (Inhibition of ex vivo anti-IgM/IL-4 -induced proximal p...	-
Rattus norvegicus	EC50	=	83.0	nM	7.08	Ex-vivo inhibition of PI3Kdelta in po dosed Lewis rat assessed as reduction in a...	28947947
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	95.0	nM	7.02	Inhibition of PI3Kdelta in anti-CD3/CD28 stimulated human PBMC derived CD4-posit...	28947947
Unchecked	IC50	=	99.0	nM	7.0	Selectivity interaction (Rat whole blood B cell activation assay) EUB0000877a PI...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	101.0	nM	7.0	Inhibition of PI3Kdelta in anti-CD3/CD28 stimulated mouse CD4-positive T cells a...	28947947

Literature References

PubMed	DOI	Target Context	# Activities
28947947	10.1021/acsmedchemlett.7b00293	Rattus norvegicus	28
28947947	10.1021/acsmedchemlett.7b00293	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	15
35609190	10.1021/acs.jmedchem.2c00530	Pfeiffer	10
-	10.6019/CHEMBL4689842	U2OS	10
-	10.6019/CHEMBL4689842	Fibroblast	9
-	10.6019/CHEMBL5058564	U2OS	9
28947947	10.1021/acsmedchemlett.7b00293	Cynomolgus monkey	9
-	10.6019/CHEMBL5058564	HEK-293T	8
28947947	10.1021/acsmedchemlett.7b00293	Canis familiaris	8
28947947	10.1021/acsmedchemlett.7b00293	Mus musculus	7
-	10.6019/CHEMBL5465560	Unchecked	6
-	10.6019/CHEMBL5058564	Fibroblast	5
35609190	10.1021/acs.jmedchem.2c00530	ADMET	5
-	10.6019/CHEMBL4689842	HEK-293T	3
28947947	10.1021/acsmedchemlett.7b00293	Unchecked	3
28947947	10.1021/acsmedchemlett.7b00293	ADMET	3
28947947	10.1021/acsmedchemlett.7b00293	No relevant target	3
28947947	10.1021/acsmedchemlett.7b00293	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	3
-	10.6019/CHEMBL5060014	Aurora kinase A	2
-	10.6019/CHEMBL5060014	Tyrosine-protein kinase ABL1	2

Data from ChEMBL 36 via Core Engine