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Compound Detail

CHEMBL2282515

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CC(=O)Oc1cc(OC(C)=O)c2c(OC(C)=O)ccc(Cl)c2c1OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2282515
Phase Preclinical
Structure Type MOL
InChI Key LXASXPVFJXDMNC-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.8
MW (Da)
3.19
ALogP
8
HBA
0
HBD
105.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15ClO8
MW 394.76
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.18

Activity Summary

IC50 2 meas. best 7.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mycobacterium tuberculosis
CHEMBL360
 IC50 7.91 7.91 12.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mycobacterium tuberculosis IC50 = 12.4 nM 7.91 Antitubercular activity against Mycobacterium tuberculosis H37Rv by BACTEC metho... -

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-011-9731-0 Mycobacterium tuberculosis 2

Data from ChEMBL 36 via Core Engine