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Compound Detail

CHEMBL5187203

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COCC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ncnc2c1nnn2[C@@H]1C[C@@H](COS(N)(=O)=O)[C@@H](O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5187203
Phase Preclinical
Structure Type MOL
InChI Key UHZSMEDUPPKHQT-XMJRAMJNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

532.6
MW (Da)
-0.41
ALogP
12
HBA
4
HBD
196.5
PSA (Ų)
0.28
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N8O6S
MW 532.58
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
33857374 10.1021/acs.jmedchem.1c00242 NEDD8 activating enzyme 1

Data from ChEMBL 36 via Core Engine