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Compound Detail

CHEMBL4634438

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COc1cc([C@](O)(CCN(C)C)[C@H](c2cccc(C)c2)c2cc3cc(Br)ccc3nc2OC)cc(OC(C)C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4634438
Phase Preclinical
Structure Type MOL
InChI Key BNHDNLNGEQJFHJ-XLJNKUFUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

608.6
MW (Da)
6.48
ALogP
7
HBA
1
HBD
76.9
PSA (Ų)
0.21
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H38BrN3O4
MW 608.58
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.79

Literature References

PubMed DOI Target Context # Activities
31810890 10.1016/j.bmc.2019.115213 Mycobacterium tuberculosis 2
31810890 10.1016/j.bmc.2019.115213 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine