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Compound Detail

CHEMBL501324

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COc1cc(C2=NCCN2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL501324
Phase Preclinical
Structure Type MOL
InChI Key KIIGFSYTKBZATN-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

236.3
MW (Da)
1.06
ALogP
5
HBA
1
HBD
52.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16N2O3
MW 236.27
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.02

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
19064321 10.1016/j.bmcl.2008.03.001 Amine oxidase [flavin-containing] A 1
19064321 10.1016/j.bmcl.2008.03.001 Amine oxidase [flavin-containing] B 1
19064321 10.1016/j.bmcl.2008.03.001 Unchecked 1

Data from ChEMBL 36 via Core Engine