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Compound Detail

CHEMBL4469839

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O=C(O)CCCc1nc(-c2ccc(Cl)c(Cl)c2)co1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4469839
Phase Preclinical
Structure Type MOL
InChI Key GYXFOSASNBWZJK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

300.1
MW (Da)
4.06
ALogP
3
HBA
1
HBD
63.3
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11Cl2NO3
MW 300.14
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.74

Literature References

PubMed DOI Target Context # Activities
31436984 10.1021/acs.jmedchem.9b00445 Unchecked 1

Data from ChEMBL 36 via Core Engine