Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: G4990BOZ66

Structure

InChI Key RWEVIPRMPFNTLO-UHFFFAOYSA-N
Smile Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)n(C)c1=O
InChI
InChI=1S/C16H17FIN3O4/c1-9-7-11(15(23)20-25-6-5-22)14(21(2)16(9)24)19-13-4-3-10(18)8-12(13)17/h3-4,7-8,19,22H,5-6H2,1-2H3,(H,20,23)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H17FIN3O4
Molecular Weight 461.23
AlogP 1.83
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 92.59
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Dual specificity mitogen-activated protein kinase kinase 1 inhibitor Other PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 91424
ChEMBL CHEMBL3182621
DrugBank DB06061
EPA CompTox DTXSID50235986
FDA SRS G4990BOZ66
Guide to Pharmacology 8474
PubChem 16666708
SureChEMBL SCHEMBL388533
ZINC ZINC000043152942