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Compound Detail

CHEMBL4784334

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O=C(Cc1cn(OCc2ccccc2)c2ccccc12)Nc1ccccc1Cl

Basic Information

ChEMBL ID CHEMBL4784334
Phase Preclinical
Structure Type MOL
InChI Key WNLIFVAZTQLQQA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

390.9
MW (Da)
5.10
ALogP
3
HBA
1
HBD
43.3
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H19ClN2O2
MW 390.87
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.19

Activity Summary

EC50 1 meas. best 5.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
EC50 5.07 5.07 8550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32004936 10.1016/j.ejmech.2020.112071 Human immunodeficiency virus 1 1
32004936 10.1016/j.ejmech.2020.112071 HEK-293T 1
32004936 10.1016/j.ejmech.2020.112071 Unchecked 1

Data from ChEMBL 36 via Core Engine