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Compound Detail

CHEMBL507361

MIRDAMETINIB
🧪 Phase II
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🧪 Phase II
O=C(NOC[C@H](O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL507361
Name MIRDAMETINIB
Phase Phase II
Structure Type MOL
InChI Key SUDAHWBOROXANE-SECBINFHSA-N

Known Names

Mirdametinib Pd 0325901 Pd 03525901 Pd 901 Pd-0325901
566
Targets
603
Activities
3
Assay Types
14
PK Parameters
20
Publications
5
Known Names
6
Indications
2
Mechanisms

Molecular Properties

482.2
MW (Da)
2.47
ALogP
5
HBA
4
HBD
90.8
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -tinib
USAN Year 2019

Extended Properties

Molecular Formula C16H14F3IN2O4
MW 482.20
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.20

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

Carcinoma, Non-Small-Cell Lung Neoplasms Neoplasms Neurofibromatosis 1 Colorectal Neoplasms Glioma

ATC Classification

L01EE05
mirdametinib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS

Activity Summary

IC50 595 meas. best 9.48
Kd 7 meas. best 9.4
EC50 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity mitogen-activated protein kinase kinase 1
CHEMBL3587
 IC50 9.48 8.08 0.3 14
Dual specificity mitogen-activated protein kinase kinase 1
CHEMBL5860
 IC50 9.48 9.48 0.3 1
Unchecked
CHEMBL612545
 IC50 9.48 9.3567 0.3 3
Dual specificity mitogen-activated protein kinase kinase 1
CHEMBL3587
 Kd 9.4 8.0475 0.4 4
CHP-212
CHEMBL1075423
 IC50 9.28 9.28 0.5 1
HL-60
CHEMBL383
 IC50 8.89 8.42 1.3 2
M14
CHEMBL614317
 IC50 8.84 8.84 1.4 1
SK-MEL-28
CHEMBL614919
 IC50 8.82 8.82 1.5 1
NOMO-1
CHEMBL2366198
 IC50 8.68 8.68 2.1 1
A-375
CHEMBL613859
 IC50 8.57 8.23 2.7 2
DU-4475
CHEMBL2366246
 IC50 8.45 8.45 3.6 1
C32
CHEMBL1075401
 IC50 8.44 8.44 3.7 1
BPH-1
CHEMBL2366131
 IC50 8.4 8.4 4.0 1
CP50-MEL-B
CHEMBL2366076
 IC50 8.34 8.34 4.6 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 8.3 7.515 5.0 2
HepG2
CHEMBL395
 IC50 8.3 8.3 5.0 1
Influenza A virus
CHEMBL613740
 EC50 8.3 8.3 5.0 1
H9
CHEMBL614806
 IC50 8.24 8.24 5.8 1
HTC-C3
CHEMBL1075472
 IC50 8.23 8.23 5.9 1
Serine/threonine-protein kinase B-raf
CHEMBL5145
 IC50 8.22 8.22 6.0 1
BHT-101
CHEMBL1075398
 IC50 8.17 8.17 6.7 1
COLO-741
CHEMBL1075428
 IC50 8.15 8.15 7.1 1
OVCAR-5
CHEMBL614214
 IC50 8.11 8.11 7.8 1
A549
CHEMBL392
 IC50 8.1 7.22 7.9 4
SH-4
CHEMBL2366309
 IC50 8.08 8.08 8.3 1
SK-N-AS
CHEMBL1075578
 IC50 8.07 8.07 8.4 1
HT-144
CHEMBL2366291
 IC50 8.05 8.05 9.0 1
MEL-HO
CHEMBL1075500
 IC50 8.02 8.02 9.5 1
COLO-679
CHEMBL1075426
 IC50 8.0 8.0 10.0 1
H-EMC-SS
CHEMBL1075451
 IC50 7.96 7.96 11.0 1
HuP-T4
CHEMBL1075478
 IC50 7.96 7.96 11.0 1
NCI-H1666
CHEMBL1075520
 IC50 7.95 7.95 11.2 1
LB2518-MEL
CHEMBL2366335
 IC50 7.95 7.95 11.1 1
A101D
CHEMBL2366306
 IC50 7.94 7.94 11.4 1
Dual specificity mitogen-activated protein kinase kinase 2
CHEMBL2964
 Kd 7.92 7.46 12.0 2
RVH-421
CHEMBL1075567
 IC50 7.9 7.9 12.6 1
Hs-578T
CHEMBL614645
 IC50 7.89 7.89 12.8 1
DOK
CHEMBL1075435
 IC50 7.87 7.87 13.4 1
Dual specificity mitogen-activated protein kinase kinase; MEK1/2
CHEMBL2111289
 IC50 7.86 7.86 13.7 1
Dual specificity mitogen-activated protein kinase kinase 2
CHEMBL2964
 IC50 7.85 7.316 14.0 5
ONS-76
CHEMBL2366068
 IC50 7.84 7.84 14.5 1
MeWo
CHEMBL613300
 IC50 7.84 7.84 14.4 1
SW626
CHEMBL1075593
 IC50 7.83 7.83 14.9 1
SW-620
CHEMBL612262
 IC50 7.83 7.83 14.9 1
UACC-257
CHEMBL612796
 IC50 7.83 7.83 14.6 1
TYK-nu
CHEMBL1075601
 IC50 7.82 7.82 15.1 1
ACN
CHEMBL2366195
 IC50 7.8 7.8 15.8 1
MIA PaCa-2
CHEMBL614725
 IC50 7.77 7.485 17.0 2
T-24
CHEMBL614774
 IC50 7.71 7.71 19.7 1
AGS
CHEMBL613860
 IC50 7.69 7.69 20.4 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 7900.0 ng.hr.mL-1 Macaca fascicularis
CL 8.333 mL.min-1.kg-1 Rattus norvegicus
CL 8.333 mL.min-1.kg-1 Rattus norvegicus
Cmax 3525.51 nM Macaca fascicularis
F 104.0 % Rattus norvegicus
F 104.0 % Rattus norvegicus
MRT 7.3 hr Macaca fascicularis
T1/2 1.667 hr Homo sapiens
T1/2 6.167 hr Homo sapiens
T1/2 5.5 hr Macaca fascicularis
T1/2 5.4 hr Rattus norvegicus
T1/2 5.4 hr Rattus norvegicus
T1/2 4.818 hr Homo sapiens
Tmax 1.1 hr Macaca fascicularis

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 0.33 nM 9.48 Inhibition of MEK-stimulated ERK phosphorylation in PDGF-stimulated mouse C26 ce... 18952427
Dual specificity mitogen-activated protein kinase kinase 1 IC50 = 0.33 nM 9.48 Inhibition of MEK1 in mouse colon 26 cells assessed as reduction in ERK1/2 phosp... 28835793
Unchecked IC50 = 0.33 nM 9.48 Inhibition of MEK (unknown origin) 33539089
Dual specificity mitogen-activated protein kinase kinase 1 IC50 = 0.33 nM 9.48 Affinity On-target Cellular interaction (Whole cell assay (murine colon 26 (C26)... -
Dual specificity mitogen-activated protein kinase kinase 1 IC50 = 0.33 nM 9.48 Affinity On-target Cellular interaction: (Whole cell assay (murine colon 26 (C26... -
Dual specificity mitogen-activated protein kinase kinase 1 Kd = 0.4 nM 9.4 Binding affinity to MEK1 by surface plasmon resonance in presence of ATP 21316218
CHP-212 IC50 = 0.5273 nM 9.28 SANGER: Inhibition of human CHP-212 cell growth in a cell viability assay. -
Unchecked IC50 = 0.77 nM 9.11 Antiproliferative activity against human A375 cells harboring BRAF V600E mutant ... 32305784
Dual specificity mitogen-activated protein kinase kinase 1 IC50 = 1.0 nM 9.0 Inhibition of MEK1 (unknown origin) 36924668
HL-60 IC50 = 1.3 nM 8.89 Antiproliferative activity against human HL60 cells harboring NRAS K61L mutant a... 32305784
M14 IC50 = 1.448 nM 8.84 SANGER: Inhibition of human M14 cell growth in a cell viability assay. -
SK-MEL-28 IC50 = 1.519 nM 8.82 SANGER: Inhibition of human SK-MEL-28 cell growth in a cell viability assay. -
NOMO-1 IC50 = 2.072 nM 8.68 SANGER: Inhibition of human NOMO-1 cell growth in a cell viability assay. -
A-375 IC50 = 2.687 nM 8.57 SANGER: Inhibition of human A375 cell growth in a cell viability assay. -
DU-4475 IC50 = 3.566 nM 8.45 SANGER: Inhibition of human DU-4475 cell growth in a cell viability assay. -
C32 IC50 = 3.668 nM 8.44 SANGER: Inhibition of human C32 cell growth in a cell viability assay. -
BPH-1 IC50 = 3.95 nM 8.4 SANGER: Inhibition of human BPH-1 cell growth in a cell viability assay. -
CP50-MEL-B IC50 = 4.575 nM 8.34 SANGER: Inhibition of human CP50-MEL-B cell growth in a cell viability assay. -
Influenza A virus EC50 = 5.0 nM 8.3 Antiviral activity against influenza A H1N1pdm09 33539089
HepG2 IC50 = 5.0 nM 8.3 Antiproliferative activity against human HepG2 cells harboring N-Ras mutation 26611920

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5465560 Tyrosine-protein kinase ABL1 15
- 10.6019/CHEMBL5465560 Epidermal growth factor receptor 12
- 10.6019/CHEMBL5674860 Colon cancer organoid 12
- 10.6019/CHEMBL5724558 Colon cancer organoid 12
- 10.6019/CHEMBL5465560 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 10
- 10.6019/CHEMBL5465560 Mast/stem cell growth factor receptor Kit 9
- 10.6019/CHEMBL4689842 U2OS 9
- 10.6019/CHEMBL5465560 Receptor-type tyrosine-protein kinase FLT3 8
18952427 10.1016/j.bmcl.2008.10.054 NON-PROTEIN TARGET 7
- 10.6019/CHEMBL4689842 Fibroblast 7
31730343 10.1021/acs.jmedchem.9b01528 Dual specificity mitogen-activated protein kinase kinase; MEK1/2 6
21316218 10.1016/j.bmcl.2011.01.062 Cynomolgus monkey 6
- 10.6019/CHEMBL5608141 Colon cancer organoid 6
29191878 10.1126/science.aan4368 Unchecked 5
18287029 10.1073/pnas.0711741105 Unchecked 5
23398453 10.1021/jm301658d Dual specificity mitogen-activated protein kinase kinase; MEK1/2 5
36924668 10.1016/j.ejmech.2023.115236 A-375 5
26611920 10.1016/j.bmcl.2015.11.004 Rattus norvegicus 4
23474388 10.1016/j.bmcl.2013.02.028 Rattus norvegicus 4
25313996 10.1021/jm500847m Mitogen-activated protein kinase 1 4

Data from ChEMBL 36 via Core Engine