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Compound Detail

CHEMBL555069

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CC[N+](C)(CC)CC(=O)Nc1ccc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL555069
Phase Preclinical
Structure Type MOL
InChI Key LTBLKYCDPJHEFT-UHFFFAOYSA-O

Known Names

AS-67031
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
1
Known Names

Molecular Properties

290.2
MW (Da)
3.42
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H19Cl2N2O+
MW 290.21
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
19409797 10.1016/j.bmc.2009.04.001 Unchecked 1

Data from ChEMBL 36 via Core Engine