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Compound Detail

CHEMBL1765216

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O=C1CCc2cc(-c3ccncc3)cc3c2N1CC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1765216
Phase Preclinical
Structure Type MOL
InChI Key NIQTXFWYMYCJFB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
2.58
ALogP
2
HBA
0
HBD
33.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N2O
MW 250.30
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
21384875 10.1021/jm101470k Cytochrome P450 11B2, mitochondrial 2
21384875 10.1021/jm101470k Cytochrome P450 11B1, mitochondrial 1
21384875 10.1021/jm101470k Unchecked 1

Data from ChEMBL 36 via Core Engine