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Compound Detail

CHEMBL291368

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COc1ccc(NC(=O)c2ccc(Cl)[n+]([O-])c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL291368
Phase Preclinical
Structure Type MOL
InChI Key RRUSNKOCZBSSFJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

278.7
MW (Da)
2.23
ALogP
3
HBA
1
HBD
65.3
PSA (Ų)
0.53
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 C13H11ClN2O3
MW 278.70
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.11

Literature References

PubMed DOI Target Context # Activities
11459668 10.1016/s0960-894x(01)00326-2 Homo sapiens 1
11459668 10.1016/s0960-894x(01)00326-2 C-X-C chemokine receptor type 2 1

Data from ChEMBL 36 via Core Engine