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Compound Detail

CHEMBL485399

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CNC(=O)c1ccc(C(=O)Nc2nc3cc(N(C)C(=O)C4CCCCC4)ccc3n2CCC(N)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL485399
Phase Preclinical
Structure Type MOL
InChI Key ALDXNQZSDJAMDT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

504.6
MW (Da)
3.07
ALogP
6
HBA
3
HBD
139.4
PSA (Ų)
0.43
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32N6O4
MW 504.59
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.47

Literature References

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

Data from ChEMBL 36 via Core Engine