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Compound Detail

CHEMBL3780618

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COc1ccc(NCN2C(=O)c3ccc(NC(=O)Nc4ccccc4)cc3C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3780618
Phase Preclinical
Structure Type MOL
InChI Key VIIJGMMTRBMJDR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)
4.00
ALogP
5
HBA
3
HBD
99.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N4O4
MW 416.44
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.22

Literature References

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

Data from ChEMBL 36 via Core Engine