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Compound Detail

CHEMBL3187723

BINIMETINIB
💊 Approved Drug
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💊 Approved Drug
Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(C(=O)NOCCO)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3187723
Name BINIMETINIB
Phase Approved
Structure Type MOL
InChI Key ACWZRVQXLIRSDF-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

ARRY 438162 ARRY-162 ARRY-438162 Binimetinib Mek-162 MEK162 Mektovi NVP-MEK162
7
Targets
10
Activities
2
Assay Types
0
PK Parameters
20
Publications
8
Known Names
20
Indications
2
Mechanisms

Molecular Properties

441.2
MW (Da)
3.01
ALogP
6
HBA
3
HBD
88.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2018
Availability Prescription
Chirality Achiral

Routes of Administration

Oral
USAN Stem -tinib
USAN Year 2014

Extended Properties

Molecular Formula C17H15BrF2N4O3
MW 441.23
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.16

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Dual specificity mitogen-activated protein kinase kinase 1 inhibitor INHIBITOR Dual specificity mitogen-activated protein kinase kinase 1 ✓ ✓
Dual specificity mitogen-activated protein kinase kinase 2 inhibitor INHIBITOR Dual specificity mitogen-activated protein kinase kinase 2 ✓ ✓

Indications

Melanoma Melanoma Melanoma Neoplasms Neoplasms Biliary Tract Neoplasms Biliary Tract Neoplasms Fallopian Tube Neoplasms Ovarian Neoplasms Ovarian Neoplasms Peritoneal Neoplasms Arthritis, Rheumatoid Breast Neoplasms Breast Neoplasms Carcinoma, Non-Small-Cell Lung Cardiomegaly Colorectal Neoplasms Colorectal Neoplasms Klatskin Tumor Leukemia, Hairy Cell

ATC Classification

L01EE03
binimetinib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS

Activity Summary

IC50 7 meas. best 7.92
Kd 3 meas. best 7.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity mitogen-activated protein kinase kinase; MEK1/2
CHEMBL2111289
 IC50 7.92 7.92 12.0 2
Dual specificity mitogen-activated protein kinase kinase 1
CHEMBL3587
 IC50 7.92 7.92 12.0 1
Dual specificity mitogen-activated protein kinase kinase 2
CHEMBL2964
 Kd 7.44 7.44 36.0 1
Dual specificity mitogen-activated protein kinase kinase 1
CHEMBL3587
 Kd 7.35 7.35 45.0 1
MIA PaCa-2
CHEMBL614725
 IC50 6.74 6.74 182.0 1
SK-MEL-2
CHEMBL614917
 IC50 6.0 6.0 1000.0 2
HCT-116
CHEMBL394
 IC50 5.7 5.7 1997.0 1
Ribosyldihydronicotinamide dehydrogenase [quinone]
CHEMBL3959
 Kd 4.83 4.83 14700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dual specificity mitogen-activated protein kinase kinase 1 IC50 = 12.0 nM 7.92 Inhibition of MEK1 (unknown origin) 36924668
Dual specificity mitogen-activated protein kinase kinase; MEK1/2 IC50 = 12.0 nM 7.92 Inhibition of MEK1/2 (unknown origin) 37657268
Dual specificity mitogen-activated protein kinase kinase; MEK1/2 IC50 = 12.0 nM 7.92 TBD: TBD -
Dual specificity mitogen-activated protein kinase kinase 2 Kd = 36.0 nM 7.44 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Dual specificity mitogen-activated protein kinase kinase 1 Kd = 45.0 nM 7.35 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
MIA PaCa-2 IC50 = 182.0 nM 6.74 Antiproliferative activity against human MIA PaCa-2 cells harboring KRAS G12C mu... 39166848
SK-MEL-2 IC50 = 1000.0 nM 6.0 Synergistic cytotoxicity against human SK-MEL-2 cells expressing NRAS mutant ass... 36961300
SK-MEL-2 IC50 = 1000.0 nM 6.0 Synergistic cytotoxicity against human SK-MEL-2 cells expressing NRAS mutant ass... 36961300
HCT-116 IC50 = 1997.0 nM 5.7 Antiproliferative activity against human HCT-116 cells harboring KRAS G13D mutan... 39166848
Ribosyldihydronicotinamide dehydrogenase [quinone] Kd = 14700.0 nM 4.83 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878

Literature References

PubMed DOI Target Context # Activities
36961300 10.1021/acs.jmedchem.3c00094 SK-MEL-2 9
29191878 10.1126/science.aan4368 Unchecked 5
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 2
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
37468498 10.1038/s41467-023-40064-9 Peroxisome proliferator-activated receptor gamma 2
37468498 10.1038/s41467-023-40064-9 Estrogen receptor 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
26298497 10.1016/j.bmcl.2015.07.093 Homo sapiens 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 2
37468498 10.1038/s41467-023-40064-9 Glucocorticoid receptor 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 2

Data from ChEMBL 36 via Core Engine