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Compound Detail

CHEMBL5630147

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COC(=O)c1ccccc1OCCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5630147
Phase Preclinical
Structure Type MOL
InChI Key NDFHDNCMKACWOA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.4
MW (Da)
1.68
ALogP
7
HBA
2
HBD
120.0
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N2O7
MW 410.38
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.70

Activity Summary

IC50 1 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 100000.0 nM 4.0 Inhibition of Mycobacterium tuberculosis Uracil-DNA glycosylase using 5' 32P end... 37399710

Literature References

PubMed DOI Target Context # Activities
37399710 10.1016/j.ejmech.2023.115604 Unchecked 2

Data from ChEMBL 36 via Core Engine