MIRDAMETINIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 86K0J5AK6M

Structure
InChI Key SUDAHWBOROXANE-SECBINFHSA-N
Smile O=C(NOC[C@H](O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
InChI
InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H14F3IN2O4
Molecular Weight 482.2
AlogP 2.47
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 90.82
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Dual specificity mitogen-activated protein kinase kinase 1 inhibitor Other PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase ERK subfamily
- 25 - - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE7 family
- 7-82 0-44 - 100
Enzyme Kinase Protein Kinase STE protein kinase group
- 7-82 0-44 - 100
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RAF family
- 6 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Neurofibromatosis 1 2 D009456 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 88249
ChEMBL CHEMBL507361
DrugBank DB07101
EPA CompTox DTXSID0044024
FDA SRS 86K0J5AK6M
Guide to Pharmacology 7935
PDB 4BM
PubChem 9826528
SureChEMBL SCHEMBL172904
ZINC ZINC000003938683
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