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Compound Detail

CHEMBL5170303

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CCS(=O)(=O)n1cc2c3cc(ccc31)OCCCCCCOc1cc(ccc1N1CCOCC1)Nc1ncc(Cl)c-2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5170303
Phase Preclinical
Structure Type MOL
InChI Key GPSOWHRQBYIWBB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

612.1
MW (Da)
5.86
ALogP
10
HBA
1
HBD
107.8
PSA (Ų)
0.30
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H34ClN5O5S
MW 612.15
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -0.65

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