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Compound Detail

CHEMBL1784094

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O=C(Nc1cccc(Cl)c1N1CCN(C(=O)C(F)(F)F)CC1)c1ccc(Br)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1784094
Phase Preclinical
Structure Type MOL
InChI Key RLYQVMMEYGXGGC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

480.7
MW (Da)
4.16
ALogP
4
HBA
1
HBD
65.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14BrClF3N3O3
MW 480.67
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -2.17

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