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Compound Detail

CHEMBL292767

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O=C(Nc1ccccc1O)c1ccc(Cl)[n+]([O-])c1

Basic Information

ChEMBL ID CHEMBL292767
Phase Preclinical
Structure Type MOL
InChI Key PDUDHZZXAYPQQK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

264.7
MW (Da)
1.93
ALogP
3
HBA
2
HBD
76.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H9ClN2O3
MW 264.67
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.98

Activity Summary

IC50 1 meas. best 5.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Homo sapiens
CHEMBL372
IC50 5.38 5.38 4200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Homo sapiens IC50 = 4200.0 nM 5.38 Ability to block GRO-alpha driven human neutrophil chemotaxis 11459668

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