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Compound Detail

CHEMBL419333

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COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(C#N)cnc2c(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL419333
Phase Preclinical
Structure Type MOL
InChI Key QVMHMPGAVXLUTK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
5.67
ALogP
7
HBA
1
HBD
85.6
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21N3O4
MW 427.46
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.74

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