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Compound Detail

CHEMBL5403032

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CC(C)Sc1nc(C(N=[N+]=[N-])c2ccc(-c3ccccc3)cc2)c(C(C)C)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5403032
Phase Preclinical
Structure Type MOL
InChI Key UJKMMXVDSHBFMC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

419.6
MW (Da)
6.46
ALogP
4
HBA
1
HBD
94.5
PSA (Ų)
0.16
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N5OS
MW 419.55
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.63

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
36577220 10.1016/j.ejmech.2022.115042 ADMET 1

Data from ChEMBL 36 via Core Engine