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Compound Detail

CHEMBL491273

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O=C(CCN1C(=O)c2ccccc2C1=O)N1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL491273
Phase Preclinical
Structure Type MOL
InChI Key PZEXMHGVMUYUBB-UHFFFAOYSA-N

Known Names

CAS 31122-64-2
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
1
Known Names

Molecular Properties

286.3
MW (Da)
1.69
ALogP
3
HBA
0
HBD
57.7
PSA (Ų)
0.79
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 C16H18N2O3
MW 286.33
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
19215087 10.1021/jm801278g Unchecked 2
19215087 10.1021/jm801278g Cytochrome P450 3A4 1

Data from ChEMBL 36 via Core Engine