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Compound Detail

CHEMBL5555017

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Cc1ccc(N2CCC(NC(=O)C(=O)c3c[nH]c4cc(C(=O)O)ccc34)C2=O)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5555017
Phase Preclinical
Structure Type MOL
InChI Key ZAJUNGDURBSAJT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

439.9
MW (Da)
2.93
ALogP
4
HBA
3
HBD
119.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18ClN3O5
MW 439.86
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.99

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