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Compound Detail

CHEMBL3337675

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COc1cccc(S(=O)(=O)N2CCCc3cc(-c4ccncc4)ccc32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3337675
Phase Preclinical
Structure Type MOL
InChI Key NUZCQANFSAUNGB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

380.5
MW (Da)
3.90
ALogP
4
HBA
0
HBD
59.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N2O3S
MW 380.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.56

Literature References

PubMed DOI Target Context # Activities
25176013 10.1021/jm501004t Cytochrome P450 11B1, mitochondrial 1
25176013 10.1021/jm501004t Cytochrome P450 11B2, mitochondrial 1

Data from ChEMBL 36 via Core Engine