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Compound Detail

CHEMBL5079554

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O=C(Nc1ccc(Br)cc1)Nc1ccc2c(c1O)S(=O)(=O)CCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5079554
Phase Preclinical
Structure Type MOL
InChI Key IOXQOOHFINBYAD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

411.3
MW (Da)
3.52
ALogP
4
HBA
3
HBD
95.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15BrN2O4S
MW 411.28
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
34676759 10.1021/acs.jmedchem.1c01219 C-X-C chemokine receptor type 2 1

Data from ChEMBL 36 via Core Engine