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Compound Detail

CHEMBL485378

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CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(CC(=O)c1ccc(Cl)cc1)n2CCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL485378
Phase Preclinical
Structure Type MOL
InChI Key FOLGNYGVRBEDSF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

514.1
MW (Da)
6.90
ALogP
4
HBA
0
HBD
55.2
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H32ClN3O2
MW 514.07
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
18819799 10.1016/j.bmcl.2008.09.015 Tyrosine-protein kinase ITK/TSK 1

Data from ChEMBL 36 via Core Engine