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Compound Detail

CHEMBL5518116

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Cc1ccc(N2CCC(NC(=O)C(=O)N3CCCc4ccccc43)C2=O)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5518116
Phase Preclinical
Structure Type MOL
InChI Key FSJGGHXHOHIUJQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

411.9
MW (Da)
2.85
ALogP
3
HBA
1
HBD
69.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22ClN3O3
MW 411.89
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.59

Literature References

PubMed DOI Target Context # Activities
38919032 10.1021/acs.jmedchem.4c00242 MHCC97H 1
38919032 10.1021/acs.jmedchem.4c00242 HCCLM3 1

Data from ChEMBL 36 via Core Engine