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Compound Detail

CHEMBL4633140

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O=C1CC[C@@H](C(=O)NCc2ccccc2)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4633140
Phase Preclinical
Structure Type MOL
InChI Key MDCKMKIRZIXFCH-JTQLQIEISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

218.3
MW (Da)
0.58
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14N2O2
MW 218.26
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
31525963 10.1021/acs.jmedchem.9b00584 P2X purinoceptor 7 1
38389883 10.1039/d3md00652b Protein cereblon 1

Data from ChEMBL 36 via Core Engine