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Compound Detail

CHEMBL173979

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CCCN(CCC)CCc1ccc2c(c1)NC(=O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL173979
Phase Preclinical
Structure Type MOL
InChI Key PUDBCZZQDHNFDV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

260.4
MW (Da)
2.85
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.82
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 C16H24N2O
MW 260.38
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.66

Literature References

PubMed DOI Target Context # Activities
3712384 10.1021/jm00156a010 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine