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Compound Detail

CHEMBL4282674

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COc1cc(C2=NN(C(=O)Oc3ccccc3)C(c3ccc(Cl)cc3)C2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4282674
Phase Preclinical
Structure Type MOL
InChI Key ZDNGSHREHIWLOB-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

422.9
MW (Da)
5.40
ALogP
5
HBA
1
HBD
71.4
PSA (Ų)
0.61
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19ClN2O4
MW 422.87
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.74

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
30109004 10.1039/C8MD00196K Amine oxidase [flavin-containing] A 3
30109004 10.1039/C8MD00196K HepG2 3
30109004 10.1039/C8MD00196K Unchecked 1
30109004 10.1039/C8MD00196K Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine