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Compound Detail

CHEMBL512123

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O=c1c2ccccc2oc2cc(OCCCN3CCCCC3)cc(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL512123
Phase Preclinical
Structure Type MOL
InChI Key YWXVSQRCWIFWKP-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

353.4
MW (Da)
3.91
ALogP
5
HBA
1
HBD
62.9
PSA (Ų)
0.56
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 C21H23NO4
MW 353.42
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.04

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
18632275 10.1016/j.bmc.2008.06.043 Unchecked 2

Data from ChEMBL 36 via Core Engine