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Compound Detail

CHEMBL4549316

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O=C(c1ccc(Br)cc1)c1nc(SCc2ccccc2)[nH]c(=O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4549316
Phase Preclinical
Structure Type MOL
InChI Key QLKPBKASVROSLN-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

417.3
MW (Da)
3.76
ALogP
5
HBA
2
HBD
83.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13BrN2O3S
MW 417.28
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.12

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
27658796 10.1016/j.bmc.2016.09.025 Human immunodeficiency virus 1 1
27658796 10.1016/j.bmc.2016.09.025 Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine