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Compound Detail

CHEMBL5400338

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CCCCCn1nc(-c2ccccc2)n(CC(=O)NNC(=S)Nc2ccccc2F)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5400338
Phase Preclinical
Structure Type MOL
InChI Key COAMJSZXMQBIBT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

456.6
MW (Da)
3.06
ALogP
6
HBA
3
HBD
93.0
PSA (Ų)
0.27
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25FN6O2S
MW 456.55
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -2.27

Literature References

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

Data from ChEMBL 36 via Core Engine