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Compound Detail

CHEMBL13112

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COc1cc2c(cc1OC)CC(C)(C)[N+]([O-])=C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL13112
Phase Preclinical
Structure Type MOL
InChI Key GCRKEHSDKAOUCX-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

235.3
MW (Da)
1.97
ALogP
3
HBA
0
HBD
44.5
PSA (Ų)
0.58
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 C13H17NO3
MW 235.28
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.83

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00181-3 Liposome 1

Data from ChEMBL 36 via Core Engine