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Compound Detail

CHEMBL2171163

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CC(C=O)C1c2c(c3ccccc3n2C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171163
Phase Preclinical
Structure Type MOL
InChI Key WDUUPFUQCUSPLG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
5.09
ALogP
6
HBA
0
HBD
77.8
PSA (Ų)
0.62
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H32N2O5
MW 428.53
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 0.06

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