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Compound Detail

CHEMBL4294027

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O=C(O)CCC(=O)N(Cc1ccco1)C1CC(=O)N(c2ccc(Cl)cc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4294027
Phase Preclinical
Structure Type MOL
InChI Key HAEOLDUUUKJWSF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

404.8
MW (Da)
2.46
ALogP
5
HBA
1
HBD
108.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17ClN2O6
MW 404.81
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
30109001 10.1039/C8MD00219C Unchecked 1
30109001 10.1039/C8MD00219C A549 1
30109001 10.1039/C8MD00219C HCT-116 1
30109001 10.1039/C8MD00219C ZR-75-30 1

Data from ChEMBL 36 via Core Engine