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Compound Detail

CHEMBL13335

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COC(=O)c1ccccc1OCC(O)CN=C1CCN(C=O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL13335
Phase Preclinical
Structure Type MOL
InChI Key GNBCUYXMZZDGFV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
0.91
ALogP
6
HBA
1
HBD
88.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N2O5
MW 334.37
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.40

Literature References

PubMed DOI Target Context # Activities
6135805 10.1021/jm00362a004 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine