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Compound Detail

CHEMBL4871238

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COc1ccc(N2CCN(C(=O)CCC3NC(=O)NC3=O)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4871238
Phase Preclinical
Structure Type MOL
InChI Key QIKHNUORULICMT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
0.33
ALogP
5
HBA
2
HBD
91.0
PSA (Ų)
0.75
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 C17H22N4O4
MW 346.39
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
33719441 10.1021/acs.jmedchem.0c02008 A disintegrin and metalloproteinase with thrombospondin motifs 5 1

Data from ChEMBL 36 via Core Engine