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Compound Detail

CHEMBL5400453

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CCCCCn1nc(-c2ccccc2)n(CC(=O)NNC(=S)Nc2ccc(Cl)cc2Cl)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5400453
Phase Preclinical
Structure Type MOL
InChI Key WSZNXEPNKKWRQY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

507.4
MW (Da)
4.23
ALogP
6
HBA
3
HBD
93.0
PSA (Ų)
0.24
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24Cl2N6O2S
MW 507.45
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -2.26

Literature References

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

Data from ChEMBL 36 via Core Engine