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Compound Detail

CHEMBL1783586

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C=CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(C#N)cn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1783586
Phase Preclinical
Structure Type MOL
InChI Key JSGWRVWXKJDFER-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

381.9
MW (Da)
3.17
ALogP
5
HBA
1
HBD
72.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20ClN5O
MW 381.87
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -2.15

Literature References

PubMed DOI Target Context # Activities
19433357 10.1016/j.bmcl.2009.03.086 Mitogen-activated protein kinase 10 1
19433357 10.1016/j.bmcl.2009.03.086 Mitogen-activated protein kinase 8 1

Data from ChEMBL 36 via Core Engine