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Compound Detail

CHEMBL131492

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O=C(O)c1cc(Br)c(Cl)cc1/N=C/c1nc(-c2ccc(Cl)cc2)oc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL131492
Phase Preclinical
Structure Type MOL
InChI Key KCWCZJMIWLELJW-QPSGOUHRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

456.1
MW (Da)
5.57
ALogP
5
HBA
2
HBD
95.9
PSA (Ų)
0.50
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H9BrCl2N2O4
MW 456.08
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
14684293 10.1016/j.bmcl.2003.10.032 NON-PROTEIN TARGET 3
14684293 10.1016/j.bmcl.2003.10.032 Holo-[acyl-carrier-protein] synthase 1
14684293 10.1016/j.bmcl.2003.10.032 Bacillus subtilis 1

Data from ChEMBL 36 via Core Engine