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Compound Detail

CHEMBL3221245

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CC1=C(C(=O)SC(C)(C)C)C(c2ccc(C)cc2)C=C(c2ccc(C)cc2)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3221245
Phase Preclinical
Structure Type MOL
InChI Key LLDHTTUPQLNXDV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

391.6
MW (Da)
6.36
ALogP
3
HBA
1
HBD
29.1
PSA (Ų)
0.66
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29NOS
MW 391.58
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.23

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C3MD20345J SH-SY5Y 5
24754640 10.1021/jm500263v SH-SY5Y 4
24754640 10.1021/jm500263v Voltage-dependent L-type calcium channel subunit alpha-1D 1
24754640 10.1021/jm500263v Voltage-dependent L-type calcium channel subunit alpha-1C 1

Data from ChEMBL 36 via Core Engine