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Compound Detail

CHEMBL430465

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COc1ccc(C2=C(OC(C)=O)c3ccc(CN(C)C)n3-c3cc(Cl)ccc3S2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL430465
Phase Preclinical
Structure Type MOL
InChI Key XLKYMMNWENWFIB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

455.0
MW (Da)
5.70
ALogP
6
HBA
0
HBD
43.7
PSA (Ų)
0.46
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 C24H23ClN2O3S
MW 454.98
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.68

Literature References

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

Data from ChEMBL 36 via Core Engine