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Compound Detail

CHEMBL4172746

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C=CC(=O)Nc1cccc(C(=O)c2sc(Nc3ccc(N4CCN(C)CC4)cc3)nc2N)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4172746
Phase Preclinical
Structure Type MOL
InChI Key OJKBELPVQXHUBY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

462.6
MW (Da)
3.58
ALogP
8
HBA
3
HBD
103.6
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N6O2S
MW 462.58
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.53

Literature References

PubMed DOI Target Context # Activities
30095246 10.1021/acs.jmedchem.7b01847 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 5
30095246 10.1021/acs.jmedchem.7b01847 Dual specificity protein kinase CLK2 1

Data from ChEMBL 36 via Core Engine