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Compound Detail

CHEMBL286244

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COc1cc2ncc(C#N)c(Nc3ccccc3Oc3ccccc3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL286244
Phase Preclinical
Structure Type MOL
InChI Key KGBWMONSRWGZEQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

397.4
MW (Da)
5.66
ALogP
6
HBA
1
HBD
76.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19N3O3
MW 397.43
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.96

Literature References

PubMed DOI Target Context # Activities
11378365 10.1016/s0960-894x(01)00238-4 Dual specificity mitogen-activated protein kinase kinase 1 2
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