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Compound Detail

CHEMBL5576026

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Cn1cc(CNCc2ccc(O)cc2)c2cc(C(=O)NCc3ccc(CN)cc3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5576026
Phase Preclinical
Structure Type MOL
InChI Key ZNQGBVTWKOIWNL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
3.56
ALogP
5
HBA
4
HBD
92.3
PSA (Ų)
0.35
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N4O2
MW 428.54
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.79

Literature References

PubMed DOI Target Context # Activities
39038808 10.1021/acs.jmedchem.4c00718 Serine/threonine-protein kinase haspin 1
39038808 10.1021/acs.jmedchem.4c00718 Raji 1
39038808 10.1021/acs.jmedchem.4c00718 HeLa 1
39038808 10.1021/acs.jmedchem.4c00718 A-375 1
39038808 10.1021/acs.jmedchem.4c00718 MIA PaCa-2 1
39038808 10.1021/acs.jmedchem.4c00718 MCF7 1
39038808 10.1021/acs.jmedchem.4c00718 IEC-6 1

Data from ChEMBL 36 via Core Engine