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Compound Detail

CHEMBL4877210

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O=C1NC(=O)C(CCCN2CCN(c3cccc(Cl)c3)CC2)(c2ccccc2)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4877210
Phase Preclinical
Structure Type MOL
InChI Key JHXALPNMOONOKC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.9
MW (Da)
2.98
ALogP
4
HBA
2
HBD
64.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25ClN4O2
MW 412.92
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.20

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