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Compound Detail

CHEMBL14550

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COc1cc(-c2cc(O)c3ccccc3n2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL14550
Phase Preclinical
Structure Type MOL
InChI Key CEYWUEALBWWZAX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

311.3
MW (Da)
3.63
ALogP
5
HBA
1
HBD
60.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17NO4
MW 311.34
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.12

Literature References

PubMed DOI Target Context # Activities
8164254 10.1021/jm00034a010 Tubulin beta chain 1
8164254 10.1021/jm00034a010 NCI-H226 1
8164254 10.1021/jm00034a010 DMS-114 1
8164254 10.1021/jm00034a010 HCT-116 1
8164254 10.1021/jm00034a010 KM-20L2 1
8164254 10.1021/jm00034a010 OVCAR-3 1
8164254 10.1021/jm00034a010 RXF 393 1
8164254 10.1021/jm00034a010 SF-268 1
8164254 10.1021/jm00034a010 SF-295 1

Data from ChEMBL 36 via Core Engine