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Compound Detail

CHEMBL4588749

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COc1ccc(/C=N/NC(=O)c2ccc(-c3nc4cc(C)c(C)cc4[nH]3)cc2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4588749
Phase Preclinical
Structure Type MOL
InChI Key SOJIVUKJVLSDFP-DHRITJCHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
4.32
ALogP
5
HBA
3
HBD
99.6
PSA (Ų)
0.33
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22N4O3
MW 414.47
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.11

Activity Summary

IC50 1 meas. best 5.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.08 5.08 8400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 8400.0 nM 5.08 Inhibition of yeast alpha-glucosidase using p-nitrophenyl-alpha-d-glucopyranosid... 31112894

Literature References

PubMed DOI Target Context # Activities
31112894 10.1016/j.ejmech.2019.04.025 Unchecked 1

Data from ChEMBL 36 via Core Engine