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Compound Detail

CHEMBL167484

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CCC(=CCN1Cc2c(C)ncc3nc(S)n(c23)CC1C)CC

Basic Information

ChEMBL ID CHEMBL167484
Phase Preclinical
Structure Type MOL
InChI Key CUZOKYRINGHTIK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.5
MW (Da)
3.98
ALogP
5
HBA
1
HBD
34.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H26N4S
MW 330.50
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.39

Activity Summary

IC50 1 meas. best 6.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
IC50 6.61 6.61 243.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7877144 10.1021/jm00005a006 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine