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Compound Detail

CHEMBL173855

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CCCN(CCC)CCc1ccc(O)c2c1CC(=O)N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL173855
Phase Preclinical
Structure Type MOL
InChI Key DVMXWEQYWQEDNO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

290.4
MW (Da)
2.58
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.84
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 C17H26N2O2
MW 290.41
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.18

Literature References

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

Data from ChEMBL 36 via Core Engine