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Compound Detail

CHEMBL302360

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Cc1cc(C)c(Nc2nc(Nc3ccc(C#N)cc3)ncc2-c2ccccc2)c(C)c1

Basic Information

ChEMBL ID CHEMBL302360
Phase Preclinical
Structure Type MOL
InChI Key QWCPXRJTQSFQIA-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
6.43
ALogP
5
HBA
2
HBD
73.6
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23N5
MW 405.51
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.25

Activity Summary

IC50 2 meas. best 7.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 7.62 7.62 24.0 1
Human immunodeficiency virus 1
CHEMBL378
IC50 7.62 7.62 24.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30223123 10.1016/j.ejmech.2018.09.013 Human immunodeficiency virus type 1 reverse transcriptase 7
11527705 10.1016/s0960-894x(01)00412-7 MT4 6
11527705 10.1016/s0960-894x(01)00412-7 Human immunodeficiency virus 1 1
18457904 10.1016/j.ejmech.2008.03.021 No relevant target 1
18457904 10.1016/j.ejmech.2008.03.021 Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine