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Compound Detail

CHEMBL1829013

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C=CCOc1ccc(-c2cccc([N+](=O)[O-])c2)cc1CC=C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1829013
Phase Preclinical
Structure Type MOL
InChI Key OXTUDQSIGPLFKU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

295.3
MW (Da)
4.56
ALogP
3
HBA
0
HBD
52.4
PSA (Ų)
0.43
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 C18H17NO3
MW 295.34
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.63

Literature References

PubMed DOI Target Context # Activities
21853991 10.1021/jm200830u HUVEC 1
21853991 10.1021/jm200830u A549 1
21853991 10.1021/jm200830u HepG2 1
21853991 10.1021/jm200830u NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine