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Compound Detail

CHEMBL583909

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CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C(F)(F)F)CC3=O

Basic Information

ChEMBL ID CHEMBL583909
Phase Preclinical
Structure Type MOL
InChI Key ACPZLZLXFZDHQU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

408.4
MW (Da)
4.83
ALogP
5
HBA
0
HBD
65.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19F3O5
MW 408.37
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 1.80

Activity Summary

EC50 1 meas. best 4.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
EC50 4.83 4.83 14900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20050672 10.1021/jm901653e Human immunodeficiency virus 1 1
20050672 10.1021/jm901653e Unchecked 1

Data from ChEMBL 36 via Core Engine