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Compound Detail

CHEMBL3127768

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COc1cc2ncnc(Nc3ccc(C)c(C)c3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3127768
Phase Preclinical
Structure Type MOL
InChI Key RBPYJYDXSQJZHI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
4.01
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N3O2
MW 309.37
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
24530227 10.1016/j.bmc.2014.01.044 Dual specificity protein kinase CLK1 1
24530227 10.1016/j.bmc.2014.01.044 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
24530227 10.1016/j.bmc.2014.01.044 Unchecked 1
24530227 10.1016/j.bmc.2014.01.044 Glycogen synthase kinase-3 1
24530227 10.1016/j.bmc.2014.01.044 Cyclin-dependent kinase 5/CDK5 activator 1 1

Data from ChEMBL 36 via Core Engine