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Compound Detail

CHEMBL3582464

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CS(=O)(=O)c1ccc2c(c1)nc(-c1cccnc1)n2C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3582464
Phase Preclinical
Structure Type MOL
InChI Key LRKWYKZRHAROOU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
2.84
ALogP
5
HBA
0
HBD
64.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3O2S
MW 313.38
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.82

Literature References

PubMed DOI Target Context # Activities
26005536 10.1021/acsmedchemlett.5b00054 Cytochrome P450 11B2, mitochondrial 1
26005536 10.1021/acsmedchemlett.5b00054 Cytochrome P450 11B1, mitochondrial 1
26005536 10.1021/acsmedchemlett.5b00054 Unchecked 1

Data from ChEMBL 36 via Core Engine