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Compound Detail

CHEMBL1467867

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O=C(Oc1ccc(Cl)c2cccnc12)c1cccnc1

Basic Information

ChEMBL ID CHEMBL1467867
Phase Preclinical
Structure Type MOL
InChI Key TZPKUYDXEWNSDK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

284.7
MW (Da)
3.50
ALogP
4
HBA
0
HBD
52.1
PSA (Ų)
0.53
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 C15H9ClN2O2
MW 284.70
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.13

Activity Summary

IC50 1 meas. best 4.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C-C chemokine receptor type 6
CHEMBL4423
IC50 4.51 4.51 30700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
C-C chemokine receptor type 6 IC50 = 30700.0 nM 4.51 PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... -

Data from ChEMBL 36 via Core Engine