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Compound Detail

CHEMBL457639

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CC(C)N1C(=O)CCc2cc(-c3cccnc3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL457639
Phase Preclinical
Structure Type MOL
InChI Key RHSOUCVBKKFBIN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
3.44
ALogP
2
HBA
0
HBD
33.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N2O
MW 266.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
19049427 10.1021/jm800888q Cytochrome P450 11B2, mitochondrial 2
19049427 10.1021/jm800888q Cytochrome P450 11B1, mitochondrial 1
19049427 10.1021/jm800888q Unchecked 1

Data from ChEMBL 36 via Core Engine