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Compound Detail

CHEMBL4070909

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Cc1cc(C)c(S(=O)(=O)Nc2ccnc(Nc3ccc(C#N)cc3)n2)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4070909
Phase Preclinical
Structure Type MOL
InChI Key JYTOTYKVGOQRSB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

393.5
MW (Da)
3.82
ALogP
6
HBA
2
HBD
107.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N5O2S
MW 393.47
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.76

Literature References

PubMed DOI Target Context # Activities
28659246 10.1016/j.bmc.2017.06.022 Human immunodeficiency virus 1 2
28659246 10.1016/j.bmc.2017.06.022 Unchecked 1
28659246 10.1016/j.bmc.2017.06.022 MT4 1
28659246 10.1016/j.bmc.2017.06.022 Human immunodeficiency virus 2 1

Data from ChEMBL 36 via Core Engine