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Compound Detail

CHEMBL292067

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O=C(NCCNC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL292067
Phase Preclinical
Structure Type MOL
InChI Key CUKAJLUIIBQEDU-UHFFFAOYSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.3
MW (Da)
0.08
ALogP
8
HBA
8
HBD
179.6
PSA (Ų)
0.27
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N2O8
MW 364.31
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.04

Activity Summary

IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
9207944 10.1021/jm9605187 Catechol O-methyltransferase 1

Data from ChEMBL 36 via Core Engine