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Compound Detail

CHEMBL3818840

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Cl.NCCOc1ccc(C(N)=O)cc1-c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3818840
Phase Preclinical
Structure Type MOL
InChI Key YZSMZYVADSLOQE-UHFFFAOYSA-N
Parent Compound CHEMBL3819657
Active Moiety CHEMBL3819657
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

274.3
MW (Da)
1.93
ALogP
3
HBA
2
HBD
78.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16ClFN2O2
MW 310.76
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.86

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
27190602 10.1021/acsmedchemlett.5b00284 beta-catenin-B-cell lymphoma 9 protein complex 1

Data from ChEMBL 36 via Core Engine