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Compound Detail

CHEMBL230470

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COc1nc2ccc(NC(=O)N3CCCC(C(=O)NC4CCCCC4)C3)cc2nc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL230470
Phase Preclinical
Structure Type MOL
InChI Key XZQGFDFLKKLIIQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
3.34
ALogP
6
HBA
2
HBD
105.7
PSA (Ų)
0.74
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 C23H31N5O4
MW 441.53
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
17303416 10.1016/j.bmcl.2007.01.094 Dual specificity protein phosphatase 22 1

Data from ChEMBL 36 via Core Engine