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Compound Detail

CHEMBL343398

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COC(=O)c1cc(C(=CCCCC=O)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC

Basic Information

ChEMBL ID CHEMBL343398
Phase Preclinical
Structure Type MOL
InChI Key AMHXOMTWYGECAQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

495.4
MW (Da)
5.38
ALogP
7
HBA
0
HBD
88.1
PSA (Ų)
0.25
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24Cl2O7
MW 495.36
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.31

Activity Summary

IC50 2 meas. best 5.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 5.38 5.345 4200.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10579849 10.1021/jm990343b Human immunodeficiency virus type 1 reverse transcriptase 2
10579849 10.1021/jm990343b CEM-SS 1
10579849 10.1021/jm990343b CCRF-CEM 1

Data from ChEMBL 36 via Core Engine