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Compound Detail

CHEMBL4092014

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CC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2ccnc(Nc3ccc(C#N)cc3)c2)c(C(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4092014
Phase Preclinical
Structure Type MOL
InChI Key FZNXDIIVOOGVLQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

476.6
MW (Da)
6.87
ALogP
5
HBA
2
HBD
94.9
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32N4O2S
MW 476.65
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.17

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 Human immunodeficiency virus 2 1
28659246 10.1016/j.bmc.2017.06.022 Unchecked 1
28659246 10.1016/j.bmc.2017.06.022 MT4 1

Data from ChEMBL 36 via Core Engine