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Compound Detail

CHEMBL5542457

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CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(C#CC4(O)CCCCC4)c3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5542457
Phase Preclinical
Structure Type MOL
InChI Key RTFHHNGSGHTPMU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
4.66
ALogP
4
HBA
3
HBD
90.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N4O2
MW 416.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.85

Literature References

PubMed DOI Target Context # Activities
38500250 10.1021/acs.jmedchem.3c02092 Dual specificity protein kinase CLK2 1
38500250 10.1021/acs.jmedchem.3c02092 Dual specificity protein kinase CLK3 1
38500250 10.1021/acs.jmedchem.3c02092 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1

Data from ChEMBL 36 via Core Engine