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Compound Detail

CHEMBL5646975

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CC(C)[C@@H](NC(=O)[C@@H](N)Cn1ccc(=O)c(O)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5646975
Phase Preclinical
Structure Type MOL
InChI Key HSUZWWRRKONKJY-GZMMTYOYSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
1
Publications
0
Known Names

Molecular Properties

297.3
MW (Da)
-0.89
ALogP
6
HBA
4
HBD
134.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H19N3O5
MW 297.31
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.33

Activity Summary

IC50 1 meas. best 4.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mushroom tyrosinase
CHEMBL6066154
 IC50 4.99 4.99 10300.0 1

Pharmacokinetic Data

Parameter Value Units Species
Ka 14.0 uM Agaricus bisporus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mushroom tyrosinase IC50 = 10300.0 nM 4.99 Inhibition of mushroom Tyrosinase 37487307

Literature References

PubMed DOI Target Context # Activities
37487307 10.1016/j.ejmech.2023.115672 Mushroom tyrosinase 2

Data from ChEMBL 36 via Core Engine