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Compound Detail

CHEMBL65753

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

Basic Information

ChEMBL ID CHEMBL65753
Phase Preclinical
Structure Type MOL
InChI Key NUGAADPZPYJZMP-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

483.3
MW (Da)
5.09
ALogP
5
HBA
3
HBD
130.4
PSA (Ų)
0.40
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 C22H20Cl2O8
MW 483.30
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.23

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9622549 10.1021/jm9800595 CEM-SS 2
9622549 10.1021/jm9800595 Human immunodeficiency virus type 1 reverse transcriptase 1
9622549 10.1021/jm9800595 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine