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Compound Detail

CHEMBL63473

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COc1c(Cl)cc(C(=CCC(=O)O)c2cc(Cl)c(OC)c(C(=O)O)c2)cc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL63473
Phase Preclinical
Structure Type MOL
InChI Key VGNRTECDWNOIMZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

455.2
MW (Da)
4.31
ALogP
5
HBA
3
HBD
130.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16Cl2O8
MW 455.25
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.16

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