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Compound Detail

CHEMBL4572418

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Cn1nnc2cc([C@H](CC(=O)O)c3ccc(Cl)cc3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4572418
Phase Preclinical
Structure Type MOL
InChI Key LCHKWRPFWJXZAW-CYBMUJFWSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.8
MW (Da)
3.23
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14ClN3O2
MW 315.76
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.10

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