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Compound Detail

CHEMBL3297988

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CCCCCc1cn(C/C=C2\OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3297988
Phase Preclinical
Structure Type MOL
InChI Key XTSDDGKYCBJVJL-JLPGSUDCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

459.6
MW (Da)
5.10
ALogP
7
HBA
0
HBD
75.5
PSA (Ų)
0.28
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29N3O4
MW 459.55
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.29

Literature References

PubMed DOI Target Context # Activities
24880230 10.1016/j.ejmech.2014.05.042 MCF7 1
24880230 10.1016/j.ejmech.2014.05.042 MDA-MB-231 1
24880230 10.1016/j.ejmech.2014.05.042 PC-3 1
24880230 10.1016/j.ejmech.2014.05.042 HCT-116 1
24880230 10.1016/j.ejmech.2014.05.042 U-937 1
24880230 10.1016/j.ejmech.2014.05.042 HEK293 1

Data from ChEMBL 36 via Core Engine