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Compound Detail

CHEMBL279811

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CN(C)c1ccc(-c2cc(O)c3cc4c(cc3n2)OCO4)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL279811
Phase Preclinical
Structure Type MOL
InChI Key GUYRKUKTQPPPFK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

308.3
MW (Da)
3.40
ALogP
5
HBA
1
HBD
54.8
PSA (Ų)
0.79
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 C18H16N2O3
MW 308.34
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.48

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 SK-MEL-5 1
8164254 10.1021/jm00034a010 SF-268 1
8164254 10.1021/jm00034a010 SF-295 1

Data from ChEMBL 36 via Core Engine