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Compound Detail

CHEMBL324660

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CCCCCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1.N.N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL324660
Phase Preclinical
Structure Type MOL
InChI Key QDLNNVODSSYRJN-UHFFFAOYSA-N
Parent Compound CHEMBL149706
Active Moiety CHEMBL149706
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.3
MW (Da)
5.81
ALogP
4
HBA
4
HBD
115.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26Cl2N2O6
MW 473.35
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.29

Literature References

PubMed DOI Target Context # Activities
8759644 10.1021/jm960082v CCRF-CEM 2

Data from ChEMBL 36 via Core Engine