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Compound Detail

CHEMBL94956

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COc1cccc2c(Nc3ccc(Oc4ccccc4)cc3)c(C#N)cnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL94956
Phase Preclinical
Structure Type MOL
InChI Key CKEHNTQJROCGHV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
5.65
ALogP
5
HBA
1
HBD
67.2
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17N3O2
MW 367.41
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
11133101 10.1016/s0960-894x(00)00580-1 Serine/threonine-protein kinase RAF and Dual specificity mitogen-activated protein kinase kinase 1 (Raf/MEK) 1
11133101 10.1016/s0960-894x(00)00580-1 Dual specificity mitogen-activated protein kinase kinase 1 1

Data from ChEMBL 36 via Core Engine