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Compound Detail

CHEMBL5407270

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CCCCCn1nc(-c2ccccc2)n(CC(=O)NNC(=O)Nc2ccc(Br)cc2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5407270
Phase Preclinical
Structure Type MOL
InChI Key VIRDTCNBRXUVEN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

501.4
MW (Da)
3.52
ALogP
6
HBA
3
HBD
110.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25BrN6O3
MW 501.39
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.98

Literature References

PubMed DOI Target Context # Activities
35717871 10.1016/j.ejmech.2022.114525 Mushroom tyrosinase 1

Data from ChEMBL 36 via Core Engine