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Compound Detail

CHEMBL3593874

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Cc1cc(C#N)cc(C)c1Oc1ccnc(SCC(=O)Nc2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3593874
Phase Preclinical
Structure Type MOL
InChI Key RIRDVWOGLSTKHB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
4.49
ALogP
6
HBA
1
HBD
87.9
PSA (Ų)
0.49
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 C21H18N4O2S
MW 390.47
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.91

Literature References

PubMed DOI Target Context # Activities
26162497 10.1016/j.bmc.2015.06.048 Human immunodeficiency virus 1 2
26162497 10.1016/j.bmc.2015.06.048 Human immunodeficiency virus 2 1
26162497 10.1016/j.bmc.2015.06.048 MT4 1
26162497 10.1016/j.bmc.2015.06.048 Unchecked 1

Data from ChEMBL 36 via Core Engine