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Compound Detail

CHEMBL3633916

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Oc1ccc(C2=Cc3cc(CN4CCOCC4)c(O)cc3OC2)cc1CN1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3633916
Phase Preclinical
Structure Type MOL
InChI Key LOGMXQKNWRPNQS-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
2.70
ALogP
7
HBA
2
HBD
74.6
PSA (Ų)
0.74
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 C25H30N2O5
MW 438.52
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.13

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
26432036 10.1016/j.bmcl.2015.09.027 MDA-MB-231 1
26432036 10.1016/j.bmcl.2015.09.027 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine