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Compound Detail

CHEMBL521010

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O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL521010
Phase Preclinical
Structure Type MOL
InChI Key GKOKLGAABWVELR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
3.31
ALogP
2
HBA
1
HBD
53.2
PSA (Ų)
0.70
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 C19H18N2O2
MW 306.37
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.63

Literature References

PubMed DOI Target Context # Activities
18801660 10.1016/j.bmc.2008.08.074 Unchecked 3

Data from ChEMBL 36 via Core Engine