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Compound Detail

CHEMBL451285

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Cc1cc(-c2ccccc2)nc(N2C(=O)CSC2c2c(Br)cccc2Br)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL451285
Phase Preclinical
Structure Type MOL
InChI Key YRXWBECDVAJGJB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

505.2
MW (Da)
5.76
ALogP
4
HBA
0
HBD
46.1
PSA (Ų)
0.45
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15Br2N3OS
MW 505.24
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
18242784 10.1016/j.ejmech.2007.12.015 Human immunodeficiency virus 2 2
18242784 10.1016/j.ejmech.2007.12.015 Human immunodeficiency virus 1 1
18242784 10.1016/j.ejmech.2007.12.015 MT4 1
18242784 10.1016/j.ejmech.2007.12.015 Unchecked 1
18242784 10.1016/j.ejmech.2007.12.015 Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine