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Compound Detail

CHEMBL4525348

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Cc1cc2nc(-c3ccc(C(=O)N/N=C/c4ccccn4)cc3)[nH]c2cc1C

Basic Information

ChEMBL ID CHEMBL4525348
Phase Preclinical
Structure Type MOL
InChI Key IYFNHQGTODAYFT-ZMOGYAJESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
4.01
ALogP
4
HBA
2
HBD
83.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N5O
MW 369.43
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.77

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