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Compound Detail

CHEMBL172980

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NCCc1ccc2c(c1)CC(=O)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL172980
Phase Preclinical
Structure Type MOL
InChI Key DOTZEBIZQQVXON-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

176.2
MW (Da)
0.68
ALogP
2
HBA
2
HBD
55.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H12N2O
MW 176.22
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.20

Literature References

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

Data from ChEMBL 36 via Core Engine