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Compound Detail

CHEMBL4068034

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CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3NC(C)=O)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4068034
Phase Preclinical
Structure Type MOL
InChI Key LTLUQANKAQUESF-DLBZAZTESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.9
MW (Da)
4.10
ALogP
7
HBA
3
HBD
96.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26ClN7O
MW 427.94
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
28049589 10.1016/j.bmcl.2016.12.056 Dual specificity protein kinase CLK1 3

Data from ChEMBL 36 via Core Engine