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Compound Detail

CHEMBL4528658

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Cn1nnc2cc(C(CC(=O)O)c3ccc(Cl)c(CO)c3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4528658
Phase Preclinical
Structure Type MOL
InChI Key ZYLQDVHQXSUVQO-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.8
MW (Da)
2.72
ALogP
5
HBA
2
HBD
88.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16ClN3O3
MW 345.79
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.88

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
30973731 10.1021/acs.jmedchem.9b00279 Kelch-like ECH-associated protein 1 1

Data from ChEMBL 36 via Core Engine