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Compound Detail

CHEMBL2171339

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CCOC(=O)C1c2[nH]c3ccccc3c2CCN1C(=O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171339
Phase Preclinical
Structure Type MOL
InChI Key PXJBACNETWWHBY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
3.97
ALogP
4
HBA
1
HBD
71.6
PSA (Ų)
0.70
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 C22H22N2O4
MW 378.43
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
22832321 10.1016/j.bmcl.2012.06.077 NON-PROTEIN TARGET 3
22832321 10.1016/j.bmcl.2012.06.077 E3 ubiquitin-protein ligase Mdm2 2
22832321 10.1016/j.bmcl.2012.06.077 MCF7 1
22832321 10.1016/j.bmcl.2012.06.077 U2OS 1
22832321 10.1016/j.bmcl.2012.06.077 RKO 1
22832321 10.1016/j.bmcl.2012.06.077 HT-1080 1

Data from ChEMBL 36 via Core Engine