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Compound Detail

CHEMBL474401

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CCc1c(Cc2ccc(Br)cc2)nc(SCc2ccc(OC)cc2)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL474401
Phase Preclinical
Structure Type MOL
InChI Key KVIYPLPGDYDBFM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

445.4
MW (Da)
4.99
ALogP
4
HBA
1
HBD
55.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21BrN2O2S
MW 445.38
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
18692274 10.1016/j.ejmech.2008.06.028 Human immunodeficiency virus 1 1
18692274 10.1016/j.ejmech.2008.06.028 Human immunodeficiency virus 2 1
18692274 10.1016/j.ejmech.2008.06.028 MT4 1
18692274 10.1016/j.ejmech.2008.06.028 Unchecked 1

Data from ChEMBL 36 via Core Engine