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Compound Detail

CHEMBL4166870

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COc1cc(Br)cc2c1NC(c1c[nH]nc1-c1ccccc1)NC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4166870
Phase Preclinical
Structure Type MOL
InChI Key SIUCWLXYOLMTSS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.2
MW (Da)
3.70
ALogP
4
HBA
3
HBD
79.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15BrN4O2
MW 399.25
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
29723786 10.1016/j.ejmech.2018.04.045 Transient receptor potential cation channel subfamily M member 2 3

Data from ChEMBL 36 via Core Engine