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Compound Detail

CHEMBL259846

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

Basic Information

ChEMBL ID CHEMBL259846
Phase Preclinical
Structure Type MOL
InChI Key GVKRMAQRDIRXLP-OALUTQOASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

381.5
MW (Da)
2.65
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.81
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 C22H27N3O3
MW 381.48
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.60

Literature References

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

Data from ChEMBL 36 via Core Engine