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Compound Detail

CHEMBL5425163

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COc1ccc(C(=O)N2CCN(C(=O)C3CC3c3ccc(Br)cc3)CC2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5425163
Phase Preclinical
Structure Type MOL
InChI Key WSJZQTUUVYTSRN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

444.3
MW (Da)
2.94
ALogP
4
HBA
0
HBD
62.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22BrN3O3
MW 444.33
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.45

Literature References

PubMed DOI Target Context # Activities
38047891 10.1021/acs.jmedchem.3c01364 G-protein coupled receptor 183 1

Data from ChEMBL 36 via Core Engine