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Compound Detail

CHEMBL321126

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COc1ccc([C@H]2Sc3ccc(Cl)cc3-n3c(CN4CCOCC4)ccc3[C@H]2OC(C)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL321126
Phase Preclinical
Structure Type MOL
InChI Key KIRQPXKEKDSZNI-CLJLJLNGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

499.0
MW (Da)
5.42
ALogP
7
HBA
0
HBD
52.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27ClN2O4S
MW 499.03
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
8709127 10.1021/jm960162z Voltage-gated L-type calcium channel 1

Data from ChEMBL 36 via Core Engine