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Compound Detail

CHEMBL72822

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N#Cc1ccc(NC(=S)NC(=O)Cc2c(Cl)cccc2Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL72822
Phase Preclinical
Structure Type MOL
InChI Key ZQAFQEKFBGVAIR-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.3
MW (Da)
3.92
ALogP
3
HBA
2
HBD
64.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11Cl2N3OS
MW 364.26
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.21

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11527703 10.1016/s0960-894x(01)00410-3 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine