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Compound Detail

CHEMBL1802639

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CNC(=O)c1ccc(C(=O)O)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1802639
Phase Preclinical
Structure Type MOL
InChI Key ZBAWNBSFOKRECZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

507.3
MW (Da)
3.82
ALogP
5
HBA
2
HBD
97.6
PSA (Ų)
0.53
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 C22H17BrF2N2O5
MW 507.29
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
21641211 10.1016/j.bmcl.2011.04.121 Mitogen-activated protein kinase 14 1
21641211 10.1016/j.bmcl.2011.04.121 PBMC 1

Data from ChEMBL 36 via Core Engine