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Compound Detail

CHEMBL2171345

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CN1C(=O)C(C2NC=Cc3c2[nH]c2ccccc32)C(=O)N(C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171345
Phase Preclinical
Structure Type MOL
InChI Key NHBDUPGQHXAUNY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

324.3
MW (Da)
1.45
ALogP
4
HBA
2
HBD
85.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N4O3
MW 324.34
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.19

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 Unchecked 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