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Compound Detail

CHEMBL60578

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O=C(NC(c1ccccc1)c1ccccc1)c1ccc(Cl)[n+]([O-])c1

Basic Information

ChEMBL ID CHEMBL60578
Phase Preclinical
Structure Type MOL
InChI Key RFKIYQPLNFZGKK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

338.8
MW (Da)
3.49
ALogP
2
HBA
1
HBD
56.0
PSA (Ų)
0.45
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 C19H15ClN2O2
MW 338.79
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.86

Activity Summary

IC50 1 meas. best 6.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Homo sapiens
CHEMBL372
IC50 6.08 6.08 830.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Homo sapiens IC50 = 830.0 nM 6.08 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