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Compound Detail

CHEMBL101655

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CC(=O)O[C@@H]1c2ccc(CN(C)C)n2-c2ccccc2S[C@@H]1c1ccccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL101655
Phase Preclinical
Structure Type MOL
InChI Key PMZVFIAIEGCOIL-DHIUTWEWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
5.13
ALogP
5
HBA
0
HBD
34.5
PSA (Ų)
0.56
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23FN2O2S
MW 410.51
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.50

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