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Compound Detail

CHEMBL12902

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CCOC(=O)N1CCC(=NCC(O)COc2ccccc2C(=O)OC)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL12902
Phase Preclinical
Structure Type MOL
InChI Key NGMDLEVESHNGIO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
1.91
ALogP
7
HBA
1
HBD
97.7
PSA (Ų)
0.73
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 C19H26N2O6
MW 378.43
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.79

Literature References

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

Data from ChEMBL 36 via Core Engine