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Compound Detail

CHEMBL260897

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COc1ccc2c(C[C@@H]3NC(=O)[C@@H]4CCCN4C3=O)c(Cc3ccccc3)[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL260897
Phase Preclinical
Structure Type MOL
InChI Key GCTIPPFXBWWCTJ-VXKWHMMOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
2.80
ALogP
3
HBA
2
HBD
74.4
PSA (Ų)
0.69
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 C24H25N3O3
MW 403.48
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 0.57

Literature References

PubMed DOI Target Context # Activities
18321710 10.1016/j.bmc.2008.02.050 NON-PROTEIN TARGET 1
18321710 10.1016/j.bmc.2008.02.050 Molecular identity unknown 1

Data from ChEMBL 36 via Core Engine