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Compound Detail

CHEMBL5561870

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CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(C#Cc4cccc(F)c4)c3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5561870
Phase Preclinical
Structure Type MOL
InChI Key TZQSGRSZCOFRED-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
5.15
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21FN4O
MW 412.47
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.48

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