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Compound Detail

CHEMBL5424413

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Cc1c(C(N=[N+]=[N-])c2ccc(-c3ccccc3)cc2)nc(SC(C)C)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5424413
Phase Preclinical
Structure Type MOL
InChI Key FQKDKWXMOYADQK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
5.65
ALogP
4
HBA
1
HBD
94.5
PSA (Ų)
0.19
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N5OS
MW 391.50
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.77

Literature References

PubMed DOI Target Context # Activities
36577220 10.1016/j.ejmech.2022.115042 Human immunodeficiency virus 1 1
36577220 10.1016/j.ejmech.2022.115042 MT4 1

Data from ChEMBL 36 via Core Engine