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Compound Detail

CHEMBL4788744

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O=C1/C(=C\c2ccc(Br)cc2)C(c2ccccc2)=NN1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4788744
Phase Preclinical
Structure Type MOL
InChI Key URISHBXYMXYNIY-HKWRFOASSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

403.3
MW (Da)
5.28
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.55
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H15BrN2O
MW 403.28
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
32623209 10.1016/j.ejmech.2020.112515 Unchecked 2

Data from ChEMBL 36 via Core Engine