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Compound Detail

CHEMBL5591602

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Cc1ccc(NC(=O)c2ccc3c(c2)c(CNCc2ccc(O)c(O)c2)cn3C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5591602
Phase Preclinical
Structure Type MOL
InChI Key CDAFAXKDHDVWLF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

415.5
MW (Da)
4.44
ALogP
5
HBA
4
HBD
86.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25N3O3
MW 415.49
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.96

Literature References

PubMed DOI Target Context # Activities
39038808 10.1021/acs.jmedchem.4c00718 Serine/threonine-protein kinase haspin 1

Data from ChEMBL 36 via Core Engine