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Compound Detail

CHEMBL99182

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COc1ccc([C@H]2Sc3cc(Cl)ccc3-n3c(CN(C)C)ccc3[C@H]2OC(C)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL99182
Phase Preclinical
Structure Type MOL
InChI Key OSISQQVSAMPYEA-DNQXCXABSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

457.0
MW (Da)
5.65
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 C24H25ClN2O3S
MW 457.00
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.28

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