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Compound Detail

CHEMBL221878

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O=C(CSc1nc(C(=O)c2cccc3ccccc23)cc(=O)[nH]1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL221878
Phase Preclinical
Structure Type MOL
InChI Key UAXRVCXZJAPIBL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
4.13
ALogP
5
HBA
1
HBD
79.9
PSA (Ų)
0.30
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H16N2O3S
MW 400.46
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.11

Literature References

PubMed DOI Target Context # Activities
17381078 10.1021/jm061167r Human immunodeficiency virus 1 1
17381078 10.1021/jm061167r MT4 1
17381078 10.1021/jm061167r Unchecked 1

Data from ChEMBL 36 via Core Engine