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Compound Detail

CHEMBL5185999

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CCS(=O)(=O)n1cc2c3ccc(cc31)OCCCCOc1cc(ccc1N1CCOCC1)Nc1ncc(Cl)c-2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5185999
Phase Preclinical
Structure Type MOL
InChI Key DLWPVCHHZUCPCP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

584.1
MW (Da)
5.08
ALogP
10
HBA
1
HBD
107.8
PSA (Ų)
0.35
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30ClN5O5S
MW 584.10
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
35446588 10.1021/acs.jmedchem.2c00168 Epidermal growth factor receptor 2
35446588 10.1021/acs.jmedchem.2c00168 BaF3 2

Data from ChEMBL 36 via Core Engine