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Compound Detail

CHEMBL2009640

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

Basic Information

ChEMBL ID CHEMBL2009640
Phase Preclinical
Structure Type MOL
InChI Key VNHHPTIPSYSQIG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

244.3
MW (Da)
1.92
ALogP
3
HBA
2
HBD
54.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16N2O2
MW 244.29
Aromatic Rings 2
Heavy Atoms 18
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 RKO 1
22832321 10.1016/j.bmcl.2012.06.077 U2OS 1
22832321 10.1016/j.bmcl.2012.06.077 HT-1080 1

Data from ChEMBL 36 via Core Engine