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Compound Detail

CHEMBL3410147

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CCN(CC)c1ccc(/C=C(\C#N)c2nc3cc(SC)ccc3[nH]2)cc1

Basic Information

ChEMBL ID CHEMBL3410147
Phase Preclinical
Structure Type MOL
InChI Key OLAPERCMNGIMCF-FOWTUZBSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

362.5
MW (Da)
5.20
ALogP
4
HBA
1
HBD
55.7
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N4S
MW 362.50
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.80

Activity Summary

IC50 1 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
IC50 6.12 6.12 750.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25847768 10.1016/j.ejmech.2015.03.050 Human immunodeficiency virus 1 1
25847768 10.1016/j.ejmech.2015.03.050 Unchecked 1
25847768 10.1016/j.ejmech.2015.03.050 H9 1

Data from ChEMBL 36 via Core Engine