Compound Detail

CHEMBL1079175

MK-2206

🧪 Phase II

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🧪 Phase II

NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1079175
Name	MK-2206
Phase	Phase II
Structure Type	MOL
InChI Key	ULDXWLCXEDXJGE-UHFFFAOYSA-N

Known Names

Mk-2206 MK2206

449

Targets

594

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

407.5

MW (Da)

4.24

ALogP

HBA

HBD

89.1

PSA (Å²)

0.47

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Extended Properties

Molecular Formula	C25H21N5O
MW	407.48
Aromatic Rings	5
Heavy Atoms	31
NP-Likeness	-0.49

Mechanism of Action

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

Indications

Adenocarcinoma, Bronchiolo-Alveolar Bile Duct Neoplasms Bile Duct Neoplasms Breast Neoplasms Breast Neoplasms Carcinoma, Hepatocellular Carcinoma, Large Cell Carcinoma, Renal Cell Carcinoma, Squamous Cell Carcinoma, Squamous Cell Cholangiocarcinoma Colonic Neoplasms Endometrial Neoplasms Gallbladder Neoplasms Gallbladder Neoplasms Glioma Liver Neoplasms Liver Neoplasms Lung Neoplasms Lymphoma, Large B-Cell, Diffuse

Activity Summary

IC50 579 meas. best 8.3

EC50 10 meas. best 7.2

Kd 5 meas. best 7.96

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
RAC-alpha serine/threonine-protein kinase CHEMBL4282	IC50	8.3	7.39	5.0	15
RAC-alpha serine/threonine-protein kinase CHEMBL4282	Kd	7.96	7.56	11.0	2
RAC-beta serine/threonine-protein kinase CHEMBL2431	IC50	7.92	6.4675	12.0	12
RAC-beta serine/threonine-protein kinase CHEMBL2431	Kd	7.68	7.68	21.0	1
Unchecked CHEMBL612545	IC50	7.64	7.64	22.8	1
ZR-75-1 CHEMBL614393	EC50	7.2	6.72	63.0	2
RAC-gamma serine/threonine-protein kinase CHEMBL4816	IC50	7.19	5.9991	65.0	11
NEC8 CHEMBL2366340	IC50	7.01	7.01	96.5	1
P12-Ichikawa CHEMBL614660	IC50	6.93	6.93	116.2	1
MDA-MB-175-VII CHEMBL1075497	IC50	6.86	6.86	137.4	1
RAC-gamma serine/threonine-protein kinase CHEMBL4816	Kd	6.67	6.67	213.0	1
ASPC1 CHEMBL612588	IC50	6.66	6.66	221.2	1
T47D CHEMBL614361	IC50	6.55	6.55	282.5	1
HH CHEMBL2366310	IC50	6.52	6.52	302.8	1
MOLT-16 CHEMBL2366362	IC50	6.52	6.52	303.2	1
RS4-11 CHEMBL2366159	IC50	6.46	6.46	346.1	1
ES5 CHEMBL2366312	IC50	6.46	6.46	344.6	1
KARPAS-45 CHEMBL2366305	IC50	6.43	6.43	373.2	1
NCI-H720 CHEMBL2366105	IC50	6.42	6.42	376.8	1
H9 CHEMBL614806	IC50	6.41	6.41	388.8	1
T47D CHEMBL614361	EC50	6.39	6.31	411.0	2
EFM-19 CHEMBL1075439	IC50	6.36	6.36	440.1	1
SBC-1 CHEMBL2366327	IC50	6.36	6.36	440.4	1
A4-Fuk CHEMBL2366356	IC50	6.33	6.33	468.7	1
NCI-H1563 CHEMBL1075514	IC50	6.32	6.32	481.9	1
HCC1419 CHEMBL1075455	IC50	6.31	6.31	488.9	1
H-EMC-SS CHEMBL1075451	IC50	6.3	6.3	499.4	1
BHT-101 CHEMBL1075398	IC50	6.28	6.28	529.6	1
IGROV-1 CHEMBL613984	IC50	6.26	6.26	552.5	1
HGC-27 CHEMBL1075463	IC50	6.25	6.25	567.8	1
KE-37 CHEMBL2366287	IC50	6.24	6.24	582.6	1
MCF7 CHEMBL387	EC50	6.24	6.24	571.0	1
MDA-MB-361 CHEMBL614129	IC50	6.24	6.24	577.6	1
HCC70 CHEMBL1075461	IC50	6.22	6.22	598.3	1
HAL-01 CHEMBL2366142	IC50	6.21	6.21	621.3	1
LNCaP-Clone-FGC CHEMBL2366172	IC50	6.21	6.21	610.5	1
MDA-MB-415 CHEMBL1075498	IC50	6.2	6.2	636.3	1
HT CHEMBL2366130	IC50	6.2	6.2	632.4	1
NOS-1 CHEMBL2366141	IC50	6.2	6.2	637.2	1
DU-145 CHEMBL613508	IC50	6.19	6.19	647.5	1
OCUB-M CHEMBL2366121	IC50	6.15	6.15	709.7	1
VA-ES-BJ CHEMBL2366259	IC50	6.14	6.14	730.2	1
J-RT3-T3-5 CHEMBL2366219	IC50	6.13	6.13	744.0	1
Influenza A virus CHEMBL613740	EC50	6.1	6.1	790.0	1
Influenza A virus CHEMBL613740	IC50	6.1	6.1	790.0	1
MOLT-4 CHEMBL614177	IC50	6.09	6.09	805.8	1
L-363 CHEMBL2366267	IC50	6.08	6.08	834.4	1
NB7 CHEMBL2366345	IC50	6.08	6.08	824.1	1
NKM-1 CHEMBL2366133	IC50	6.06	6.06	862.5	1
HOP-92 CHEMBL613889	IC50	6.06	6.06	872.2	1

Pharmacokinetic Data

Parameter	Value	Units	Species
CL	1.0	mL.min-1.g-1	Homo sapiens
CL	2.0	mL.min-1.g-1	Mus musculus
T1/2	5.783	hr	Homo sapiens
T1/2	11.55	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	=	5.0	nM	8.3	Inhibition of human Akt1 by western blot assay	33650861
RAC-alpha serine/threonine-protein kinase	IC50	=	6.5	nM	8.19	Biochemical Assays: iFLiK and HTRF studies were carried out as described in Z. F...	-
RAC-alpha serine/threonine-protein kinase	IC50	=	6.5	nM	8.19	Biochemical Assays: iFLiK and HTRF studies were carried out as described in Z. F...	-
RAC-alpha serine/threonine-protein kinase	IC50	=	8.0	nM	8.1	Inhibition of AKT1 (unknown origin)	38457912
RAC-alpha serine/threonine-protein kinase	IC50	=	8.0	nM	8.1	Inhibition of AKT1 (unknown origin)	38295689
RAC-alpha serine/threonine-protein kinase	IC50	=	8.0	nM	8.1	Inhibition of PKBalpha (unknown origin)	36462440
RAC-alpha serine/threonine-protein kinase	IC50	=	8.0	nM	8.1	Inhibition of AKT1 (unknown origin)	33539089
RAC-alpha serine/threonine-protein kinase	IC50	=	8.0	nM	8.1	Inhibition of Akt1	20166671
RAC-alpha serine/threonine-protein kinase	IC50	=	10.0	nM	8.0	Covalent-allosteric inhibition of full length N-terminal his6-tagged AKT (2 to 4...	30996949
RAC-alpha serine/threonine-protein kinase	IC50	=	10.0	nM	8.0	Inhibition of N-terminal His6-tagged TEV protease fused wild-type AKT1 (2 to 446...	31584233
RAC-alpha serine/threonine-protein kinase	IC50	=	10.0	nM	8.0	Inhibition of AKT1 (unknown origin) after 1 hr by Z'-LYTE kinase assay in presen...	24900862
RAC-alpha serine/threonine-protein kinase	Kd	=	11.0	nM	7.96	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
RAC-beta serine/threonine-protein kinase	IC50	=	12.0	nM	7.92	Inhibition of Akt2	20166671
RAC-beta serine/threonine-protein kinase	IC50	=	12.0	nM	7.92	Inhibition of AKT2 (unknown origin)	38457912
RAC-beta serine/threonine-protein kinase	IC50	=	12.0	nM	7.92	Inhibition of AKT2 (unknown origin)	38295689
RAC-beta serine/threonine-protein kinase	IC50	=	12.0	nM	7.92	Inhibition of PKBbeta (unknown origin)	36462440
RAC-beta serine/threonine-protein kinase	IC50	=	12.0	nM	7.92	Inhibition of human Akt2 by western blot assay	33650861
RAC-beta serine/threonine-protein kinase	Kd	=	21.0	nM	7.68	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Unchecked	IC50	=	22.8	nM	7.64	Inhibition of mTORC2 in human HeLa cells assessed as decrease in AKT phosphoryla...	29100733
ZR-75-1	EC50	=	63.0	nM	7.2	Antiproliferative activity against human ZR-75-1 cells assessed as reduction in ...	30996949

Literature References

PubMed	DOI	Target Context	# Activities
26254279	10.18632/oncotarget.4214	RAC-beta serine/threonine-protein kinase	9
26254279	10.18632/oncotarget.4214	RAC-alpha serine/threonine-protein kinase	9
26254279	10.18632/oncotarget.4214	RAC-gamma serine/threonine-protein kinase	9
33592537	10.1016/j.ejmech.2021.113274	HT-29	5
30996949	10.1039/c8sc05212c	ADMET	4
29191878	10.1126/science.aan4368	Unchecked	4
36961300	10.1021/acs.jmedchem.3c00094	SK-MEL-2	4
38457912	10.1016/j.bmc.2024.117674	ADMET	3
33592537	10.1016/j.ejmech.2021.113274	Unchecked	3
-	10.6019/CHEMBL3301361	No relevant target	2
38457912	10.1016/j.bmc.2024.117674	NCI-H358	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
31584233	10.1002/anie.201909857	Unchecked	2
30777660	10.1016/j.bmc.2019.01.028	Unchecked	2
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
24900862	10.1021/ml500088x	Unchecked	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
33539089	10.1021/acs.jmedchem.0c01467	Influenza A virus	2
-	10.6019/CHEMBL1201861	ES5	1
-	10.6019/CHEMBL1201861	ES4	1

Data from ChEMBL 36 via Core Engine