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Compound Detail

CHEMBL1783489

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C=CCN1CCN(c2c(NC(=O)c3ccc(Br)o3)cccc2C(F)(F)F)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1783489
Phase Preclinical
Structure Type MOL
InChI Key PIZUOGLRMJQXEK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

458.3
MW (Da)
4.62
ALogP
4
HBA
1
HBD
48.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19BrF3N3O2
MW 458.28
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.89

Literature References

PubMed DOI Target Context # Activities
19433357 10.1016/j.bmcl.2009.03.086 Mitogen-activated protein kinase 10 1
19433357 10.1016/j.bmcl.2009.03.086 Mitogen-activated protein kinase 8 1
19433357 10.1016/j.bmcl.2009.03.086 Unchecked 1

Data from ChEMBL 36 via Core Engine