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Compound Detail

CHEMBL63920

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COC(=O)c1cc(C(=CC(=O)OC(C)(C)C)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL63920
Phase Preclinical
Structure Type MOL
InChI Key QKFJMJDWATTXSX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

525.4
MW (Da)
5.36
ALogP
8
HBA
0
HBD
97.4
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26Cl2O8
MW 525.38
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.04

Literature References

PubMed DOI Target Context # Activities
9622549 10.1021/jm9800595 Human immunodeficiency virus type 1 reverse transcriptase 1
9622549 10.1021/jm9800595 CEM-SS 1
9622549 10.1021/jm9800595 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine