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Compound Detail

CHEMBL5439224

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COC[C@@H](CC(C)C)NC1=N/C(=C\c2ccc3c(ccn3C)c2)C(=O)N1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5439224
Phase Preclinical
Structure Type MOL
InChI Key KMIAJHORDRIVKL-ZCWPUFOUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
3.00
ALogP
5
HBA
1
HBD
58.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N4O2
MW 368.48
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
38051674 10.1021/acs.jmedchem.3c01888 Dual specificity protein kinase CLK1 1
38051674 10.1021/acs.jmedchem.3c01888 Dual specificity protein kinase CLK4 1
38051674 10.1021/acs.jmedchem.3c01888 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
38051674 10.1021/acs.jmedchem.3c01888 Dual specificity tyrosine-phosphorylation-regulated kinase 1B 1

Data from ChEMBL 36 via Core Engine