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Compound Detail

CHEMBL24662

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O=C1CC[C@H]2[C@H](c3ccccc3)Sc3ccccc3N12

Basic Information

ChEMBL ID CHEMBL24662
Phase Preclinical
Structure Type MOL
InChI Key AINFAFQBIKAVTG-YOEHRIQHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

281.4
MW (Da)
4.03
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15NOS
MW 281.38
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.33

Activity Summary

IC50 1 meas. best 9.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-dependent L-type calcium channel subunit alpha-1D
CHEMBL4132
IC50 9.11 9.11 0.8 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