Compound Detail

CHEMBL2219422

AFURESERTIB

🧪 Phase III

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🧪 Phase III

Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2219422
Name	AFURESERTIB
Phase	Phase III
Structure Type	MOL
InChI Key	AFJRDFWMXUECEW-LBPRGKRZSA-N

Known Names

Afuresertib ASB-183 ASB183 Gsk-2110183 GSK-2110183C GSK2110183 GSK2110183C

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

427.3

MW (Da)

3.89

ALogP

HBA

HBD

72.9

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

USAN Stem	-sertib
USAN Year	2012

Extended Properties

Molecular Formula	C18H17Cl2FN4OS
MW	427.33
Aromatic Rings	3
Heavy Atoms	27
NP-Likeness	-1.47

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Serine/threonine-protein kinase AKT inhibitor	INHIBITOR	Serine/threonine-protein kinase AKT	✓	✓

Indications

Breast Neoplasms Histiocytosis, Langerhans-Cell Ovarian Neoplasms Multiple Myeloma Neoplasms Neoplasms Prostatic Neoplasms, Castration-Resistant

Activity Summary

IC50 57 meas. best 10.1

Kd 12 meas. best 8.15

Ki 3 meas. best 10.1

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
RAC-alpha serine/threonine-protein kinase CHEMBL4282	Ki	10.1	10.1	0.1	2
RAC-alpha serine/threonine-protein kinase CHEMBL4282	IC50	10.1	8.9567	0.1	3
Unchecked CHEMBL612545	IC50	9.0	9.0	1.0	1
RAC-gamma serine/threonine-protein kinase CHEMBL4816	IC50	8.8	8.695	1.6	2
RAC-beta serine/threonine-protein kinase CHEMBL2431	Ki	8.7	8.7	2.0	1
RAC-beta serine/threonine-protein kinase CHEMBL2431	IC50	8.7	8.35	2.0	2
RAC-gamma serine/threonine-protein kinase CHEMBL4816	Kd	8.15	8.15	7.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	8.05	6.3973	9.0	49
RAC-alpha serine/threonine-protein kinase CHEMBL4282	Kd	7.2	7.2	63.0	1
cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101	Kd	6.88	6.88	133.0	1
cAMP-dependent protein kinase catalytic subunit beta CHEMBL2918	Kd	6.68	6.68	211.0	1
Serine/threonine-protein kinase N1 CHEMBL3384	Kd	6.06	6.06	880.0	1
Rho-associated protein kinase 1 CHEMBL3231	Kd	5.67	5.67	2144.0	1
RAC-beta serine/threonine-protein kinase CHEMBL2431	Kd	5.55	5.55	2800.0	1
Serine/threonine-protein kinase D2 CHEMBL4900	Kd	5.41	5.41	3911.0	1
Citron Rho-interacting kinase CHEMBL5579	Kd	5.37	5.37	4258.0	1
Rho-associated protein kinase 2 CHEMBL2973	Kd	5.33	5.33	4733.0	1
Protein kinase C beta type CHEMBL3045	Kd	5.31	5.31	4879.0	1
Protein kinase C alpha type CHEMBL299	Kd	4.67	4.67	21352.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
CL	7.08	uL.min-1.(10^6cells)-1	Homo sapiens
T1/2	3.2	hr	Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
RAC-alpha serine/threonine-protein kinase	IC50	=	0.08	nM	10.1	Inhibition of AKT1 (unknown origin) using Sox-AKT-tide as substrate by continuou...	36503229
RAC-alpha serine/threonine-protein kinase	Ki	=	0.08	nM	10.1	Inhibition of AKT1 (unknown origin) using Ac-KKGGRARTSSFAEPG-amide as substrate ...	38457912
RAC-alpha serine/threonine-protein kinase	Ki	=	0.08	nM	10.1	Inhibition of Akt1 (unknown origin)	31301565
RAC-alpha serine/threonine-protein kinase	IC50	=	1.0	nM	9.0	Inhibition of full length human AKT1 expressed in Sf9 cells assessed as reductio...	-
Unchecked	IC50	=	1.0	nM	9.0	Inhibition of AKT (unknown origin)	38295689
RAC-gamma serine/threonine-protein kinase	IC50	=	1.585	nM	8.8	Inhibition of full length human AKT3 expressed in Sf9 cells assessed as reductio...	-
RAC-beta serine/threonine-protein kinase	Ki	=	2.0	nM	8.7	Inhibition of AKT2 (unknown origin) using Ac-KKGGRARTSSFAEPG-amide as substrate ...	38457912
RAC-beta serine/threonine-protein kinase	IC50	=	2.0	nM	8.7	Inhibition of AKT2 (unknown origin) using Sox-AKT-tide as substrate by continuou...	36503229
RAC-gamma serine/threonine-protein kinase	IC50	=	2.6	nM	8.59	Inhibition of AKT3 (unknown origin) using Sox-AKT-tide as substrate by continuou...	36503229
RAC-gamma serine/threonine-protein kinase	Kd	=	7.0	nM	8.15	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
NON-PROTEIN TARGET	IC50	=	9.0	nM	8.05	Growth inhibition of human COLO205 cells at 1:10 molar ratio of compound in pres...	-
RAC-beta serine/threonine-protein kinase	IC50	=	10.0	nM	8.0	Inhibition of full length human AKT2 expressed in Sf9 cells assessed as reductio...	-
NON-PROTEIN TARGET	IC50	=	12.0	nM	7.92	Growth inhibition of human MV522 cells at 1:10 molar ratio of compound in presen...	-
NON-PROTEIN TARGET	IC50	=	15.0	nM	7.82	Growth inhibition of human HT-29 cells at 1:10 molar ratio of compound in presen...	-
RAC-alpha serine/threonine-protein kinase	IC50	=	16.9	nM	7.77	Inhibition of Akt1 (unknown origin) expressed in Escherichia coli using peptide ...	31301565
NON-PROTEIN TARGET	IC50	=	19.0	nM	7.72	Growth inhibition of human NCI-H727 cells at 1:10 molar ratio of compound in pre...	-
NON-PROTEIN TARGET	IC50	=	30.0	nM	7.52	Growth inhibition of human SW1417 cells at 1:10 molar ratio of compound in prese...	-
NON-PROTEIN TARGET	IC50	=	31.0	nM	7.51	Growth inhibition of human Calu6 cells at 1:10 molar ratio of compound in presen...	-
NON-PROTEIN TARGET	IC50	=	40.0	nM	7.4	Growth inhibition of human LS1034 cells at 1:10 molar ratio of compound in prese...	-
NON-PROTEIN TARGET	IC50	=	41.0	nM	7.39	Growth inhibition of human SW1463 cells at 1:10 molar ratio of compound in prese...	-

Literature References

PubMed	DOI	Target Context	# Activities
38457912	10.1016/j.bmc.2024.117674	NCI-H358	7
38457912	10.1016/j.bmc.2024.117674	ADMET	6
29191878	10.1126/science.aan4368	Unchecked	5
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
31301565	10.1016/j.ejmech.2019.07.017	RAC-alpha serine/threonine-protein kinase	2
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	2
38457912	10.1016/j.bmc.2024.117674	Unchecked	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
29191878	10.1126/science.aan4368	Activin receptor type-1	1
29191878	10.1126/science.aan4368	RAC-beta serine/threonine-protein kinase	1
29191878	10.1126/science.aan4368	RAC-alpha serine/threonine-protein kinase	1
38457912	10.1016/j.bmc.2024.117674	RAC-beta serine/threonine-protein kinase	1
29191878	10.1126/science.aan4368	AarF domain-containing protein kinase 1	1
29191878	10.1126/science.aan4368	Activin receptor type-2B	1
29191878	10.1126/science.aan4368	Activin receptor type-1B	1
29191878	10.1126/science.aan4368	Actin-related protein 2	1
29191878	10.1126/science.aan4368	Peroxisomal acyl-coenzyme A oxidase 3	1
29191878	10.1126/science.aan4368	Very long-chain specific acyl-CoA dehydrogenase, mitochondrial	1
29191878	10.1126/science.aan4368	Tyrosine-protein kinase ABL2	1
29191878	10.1126/science.aan4368	AP2-associated protein kinase 1	1

Data from ChEMBL 36 via Core Engine