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Compound Detail

CHEMBL563795

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C=CCn1c2ccccc2c2c3c(c4c5ccccc5n(CC=C)c4c21)C(=O)NC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL563795
Phase Preclinical
Structure Type MOL
InChI Key PIXYRICHTCBORY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
5.52
ALogP
3
HBA
1
HBD
39.0
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H21N3O
MW 391.47
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness 0.10

Literature References

PubMed DOI Target Context # Activities
19427203 10.1016/j.bmcl.2009.04.039 Jurkat 2
19427203 10.1016/j.bmcl.2009.04.039 Tyrosine-protein kinase JAK3 1

Data from ChEMBL 36 via Core Engine