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Compound Detail

CHEMBL4518499

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COc1cccc(CN(C)C(=O)Cn2c3ccccc3c3cc(Br)ccc32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4518499
Phase Preclinical
Structure Type MOL
InChI Key CDLCLZWDPZJVCC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.3
MW (Da)
5.22
ALogP
3
HBA
0
HBD
34.5
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21BrN2O2
MW 437.34
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.44

Literature References

PubMed DOI Target Context # Activities
31419132 10.1021/acs.jmedchem.9b00980 Translocator protein 2

Data from ChEMBL 36 via Core Engine