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Compound Detail

CHEMBL261620

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

Basic Information

ChEMBL ID CHEMBL261620
Phase Preclinical
Structure Type MOL
InChI Key HUVJENPMKUVFTE-GJZGRUSLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
1.22
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N3O3
MW 327.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.39

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