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Compound Detail

CHEMBL217336

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COc1ccc(/C=C\c2cc(OC)c(OC)cc2N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL217336
Phase Preclinical
Structure Type MOL
InChI Key ARQKSJKLZZEUJX-DAXSKMNVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
3.47
ALogP
4
HBA
1
HBD
53.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19NO3
MW 285.34
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.17

Literature References

PubMed DOI Target Context # Activities
17034147 10.1021/jm060616k Tubulin 2
17034147 10.1021/jm060616k KB 2
17034147 10.1021/jm060616k NCI-H460 1
17034147 10.1021/jm060616k HT-29 1
17034147 10.1021/jm060616k TSGH 9201 1
17034147 10.1021/jm060616k MKN-45 1

Data from ChEMBL 36 via Core Engine