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Compound Detail

CHEMBL472570

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COc1ccccc1NC(=S)N1N=C(c2ccccc2O)CC1c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL472570
Phase Preclinical
Structure Type MOL
InChI Key BDUZLGUAHMCFSZ-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
4.65
ALogP
5
HBA
3
HBD
77.3
PSA (Ų)
0.53
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 C23H21N3O3S
MW 419.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.82

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
18980841 10.1016/j.bmcl.2008.10.084 Amine oxidase [flavin-containing] B 1
18980841 10.1016/j.bmcl.2008.10.084 Amine oxidase [flavin-containing] A 1

Data from ChEMBL 36 via Core Engine