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Compound Detail

CHEMBL4568227

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O=C(NCCc1cccs1)C1CCN(c2ccccc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4568227
Phase Preclinical
Structure Type MOL
InChI Key NUHVNPAAEPGUFR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
2.46
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N2O2S
MW 314.41
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.17

Literature References

PubMed DOI Target Context # Activities
30939017 10.1021/acs.jmedchem.9b00041 No relevant target 2
30939017 10.1021/acs.jmedchem.9b00041 Methionine aminopeptidase 2 1

Data from ChEMBL 36 via Core Engine