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Compound Detail

CHEMBL4450765

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COc1c(CN)cc(C(N)=O)cc1OCCCN1Cc2ccccc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4450765
Phase Preclinical
Structure Type MOL
InChI Key ALBOITFSHDMCRJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
2.04
ALogP
5
HBA
2
HBD
90.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N3O3
MW 355.44
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.85

Literature References

PubMed DOI Target Context # Activities
31260300 10.1021/acs.jmedchem.9b00522 Spindlin-1 4

Data from ChEMBL 36 via Core Engine