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Compound Detail

CHEMBL178832

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O=C(Nc1ccccc1C(=O)O)c1ccc(N2CCNCC2)c(Oc2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL178832
Phase Preclinical
Structure Type MOL
InChI Key RTWXVPKWKQKXFA-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
3.84
ALogP
5
HBA
3
HBD
90.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N3O4
MW 417.47
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.02

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
15743201 10.1021/jm049141s Beta-ketoacyl-[acyl-carrier-protein] synthase III 1
17707951 10.1016/j.ejmech.2007.06.018 Beta-ketoacyl-[acyl-carrier-protein] synthase III 1

Data from ChEMBL 36 via Core Engine