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Compound Detail

CHEMBL2171337

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

Basic Information

ChEMBL ID CHEMBL2171337
Phase Preclinical
Structure Type MOL
InChI Key KTLAJBVDBHGUSI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
2.41
ALogP
5
HBA
0
HBD
60.8
PSA (Ų)
0.80
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 C17H20N2O4
MW 316.36
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.15

Literature References

PubMed DOI Target Context # Activities
22832321 10.1016/j.bmcl.2012.06.077 NON-PROTEIN TARGET 15
22832321 10.1016/j.bmcl.2012.06.077 Unchecked 9
22832321 10.1016/j.bmcl.2012.06.077 HT-1080 5
22832321 10.1016/j.bmcl.2012.06.077 No relevant target 2
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

Data from ChEMBL 36 via Core Engine