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Compound Detail

CHEMBL344604

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COc1ccc(C2Sc3ccccc3-n3c(CNc4ccc(F)cc4)ccc32)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL344604
Phase Preclinical
Structure Type MOL
InChI Key MHDNFULXWYWLAO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

446.6
MW (Da)
6.44
ALogP
5
HBA
1
HBD
35.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23FN2O2S
MW 446.55
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
7473567 10.1021/jm00022a005 Voltage-gated L-type calcium channel 1

Data from ChEMBL 36 via Core Engine