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Compound Detail

CHEMBL3780859

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CC(C)c1ccc(NCN2C(=O)c3ccccc3C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3780859
Phase Preclinical
Structure Type MOL
InChI Key QYMLNJQZMCPKLI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
3.48
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N2O2
MW 294.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00469A Ribosomal protein S6 kinase alpha-2 2

Data from ChEMBL 36 via Core Engine