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Compound Detail

CHEMBL24998

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CCC(C)NCc1ccc2n1-c1ccccc1SC2C1=CCC(OC)(OC)C=C1

Basic Information

ChEMBL ID CHEMBL24998
Phase Preclinical
Structure Type MOL
InChI Key RDSFERWSZRAZLX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.6
MW (Da)
5.39
ALogP
5
HBA
1
HBD
35.4
PSA (Ų)
0.62
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30N2O2S
MW 410.58
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.15

Activity Summary

IC50 1 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-dependent L-type calcium channel subunit alpha-1D
CHEMBL4132
IC50 7.92 7.92 12.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9016337 10.1021/jm9605647 Voltage-dependent L-type calcium channel subunit alpha-1D 1

Data from ChEMBL 36 via Core Engine