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Compound Detail

CHEMBL446610

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O=C(NC(Cc1ccccc1)c1cc[n+]([O-])cc1)C(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL446610
Phase Preclinical
Structure Type MOL
InChI Key TURQUOABEVFVRO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
4.55
ALogP
2
HBA
1
HBD
56.0
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24N2O2
MW 408.50
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.66

Literature References

PubMed DOI Target Context # Activities
7752185 10.1021/jm00010a004 Cricetinae gen. sp. 2
7752185 10.1021/jm00010a004 Sterol O-acyltransferase 1 1

Data from ChEMBL 36 via Core Engine