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Compound Detail

CHEMBL12990

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CC1(C)Cc2ccccc2C=[N+]1[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL12990
Phase Preclinical
Structure Type MOL
InChI Key QBKAFPLMDWRACW-UHFFFAOYSA-N
0
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

175.2
MW (Da)
1.95
ALogP
1
HBA
0
HBD
26.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13NO
MW 175.23
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.46

Activity Summary

IC50 5 meas.

Literature References

PubMed DOI Target Context # Activities
8960560 10.1021/jm960244n Unchecked 3
8960560 10.1021/jm960244n Mus musculus 2
8960560 10.1021/jm960244n ADMET 2
8960560 10.1021/jm960244n No relevant target 1
8960559 10.1021/jm960243v Unchecked 1
8960559 10.1021/jm960243v No relevant target 1
- 10.1016/0960-894X(96)00181-3 Liposome 1

Data from ChEMBL 36 via Core Engine