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Compound Detail

CHEMBL188427

ACODAZOLE
🧪 Phase II
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🧪 Phase II
CC(=O)N(C)c1ccc(Nc2cc(C)nc3ccc4nc[nH]c4c23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL188427
Name ACODAZOLE
Phase Phase II
Structure Type MOL
InChI Key XJXLRNPVSQADMZ-UHFFFAOYSA-N

Known Names

Acodazol Acodazole NCI-305884
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
3
Known Names

Molecular Properties

345.4
MW (Da)
4.15
ALogP
4
HBA
2
HBD
73.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Year 1982

Extended Properties

Molecular Formula C20H19N5O
MW 345.41
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.31

Activity Summary

IC50 1 meas. best 4.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytochrome P450 2D6
CHEMBL289
 IC50 4.74 4.74 18100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cytochrome P450 2D6 IC50 = 18100.0 nM 4.74 Inhibitory concentration against cytochrome P450 2D6 15481972

Literature References

PubMed DOI Target Context # Activities
22421021 10.1016/j.bmcl.2012.02.020 Nucleic Acid 3
15481972 10.1021/jm049934e Cytochrome P450 2D6 1

Data from ChEMBL 36 via Core Engine