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Compound Detail

CHEMBL2180156

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CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccccc1OCCBr
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2180156
Phase Preclinical
Structure Type MOL
InChI Key GUQGHSLXSOGCEK-JTDSTZFVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.4
MW (Da)
4.88
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H30BrNO3
MW 412.37
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.49

Literature References

PubMed DOI Target Context # Activities
23075067 10.1021/jm300845v P2X purinoceptor 4 2

Data from ChEMBL 36 via Core Engine