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Compound Detail

CHEMBL292072

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O=C(O)CCc1c(C(=O)NO)[nH]c2cc(Cl)cc(Cl)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL292072
Phase Preclinical
Structure Type MOL
InChI Key MOJICEXBFDXLFZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

317.1
MW (Da)
2.61
ALogP
3
HBA
4
HBD
102.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10Cl2N2O4
MW 317.13
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
12781194 10.1016/s0960-894x(03)00310-x Unchecked 1
22960695 10.1016/j.ejmech.2012.08.004 Unchecked 1

Data from ChEMBL 36 via Core Engine