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Compound Detail

CHEMBL3753775

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COc1ccc(/C=N/NC(=O)c2ccc(-c3nnc(-c4ccc5ncccc5c4)o3)cc2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3753775
Phase Preclinical
Structure Type MOL
InChI Key QIAYQZIOXMBJDP-RWPZCVJISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

465.5
MW (Da)
4.43
ALogP
8
HBA
2
HBD
122.7
PSA (Ų)
0.28
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H19N5O4
MW 465.47
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.14

Activity Summary

IC50 1 meas. best 4.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.67 4.67 21200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 21200.0 nM 4.67 Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl glucopyrano... -

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00280J ADMET 2
- 10.1039/C5MD00280J Unchecked 1

Data from ChEMBL 36 via Core Engine