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Compound Detail

CHEMBL5569783

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Cn1cc(CNCc2ccc(O)cc2)c2cc(C(=O)NCCCN)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5569783
Phase Preclinical
Structure Type MOL
InChI Key AWCAGAAEZRGFAY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
2.25
ALogP
5
HBA
4
HBD
92.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N4O2
MW 366.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.76

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