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Compound Detail

CHEMBL2171159

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CCOC(=O)C(C)C1NCCc2c1[nH]c1ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171159
Phase Preclinical
Structure Type MOL
InChI Key MGNUTJXZFFVDDU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
2.55
ALogP
3
HBA
2
HBD
54.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N2O2
MW 272.35
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.41

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 U2OS 1
22832321 10.1016/j.bmcl.2012.06.077 MCF7 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