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Compound Detail

CHEMBL57304

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CC(C)OC(=O)c1cc(C(O)c2ccc(Cl)cc2Cl)cn1S(=O)(=O)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL57304
Phase Preclinical
Structure Type MOL
InChI Key ZSCIVTPGUDJVEH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

502.8
MW (Da)
5.33
ALogP
6
HBA
1
HBD
85.6
PSA (Ų)
0.46
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18Cl3NO5S
MW 502.80
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00340-5 MT4 1
- 10.1016/S0960-894X(97)00340-5 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine