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Compound Detail

CHEMBL3192924

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O=[N+]([O-])c1ccc(O)c(/C=N/Nc2nn[nH]n2)c1

Basic Information

ChEMBL ID CHEMBL3192924
Phase Preclinical
Structure Type MOL
InChI Key QWHAGNDMBYFSSR-RUDMXATFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

249.2
MW (Da)
0.26
ALogP
8
HBA
3
HBD
142.2
PSA (Ų)
0.40
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 C8H7N7O3
MW 249.19
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -2.02

Activity Summary

IC50 1 meas. best 4.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C-C chemokine receptor type 6
CHEMBL4423
IC50 4.47 4.47 33700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
C-C chemokine receptor type 6 IC50 = 33700.0 nM 4.47 PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... -

Data from ChEMBL 36 via Core Engine