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Compound Detail

CHEMBL5557155

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COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCCCCNC(=O)CN(C)Cc1c(OC)cc(OCc2cccc(-c3ccccc3)c2C)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5557155
Phase Preclinical
Structure Type MOL
InChI Key LRHSKXWTMMRVIN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

864.5
MW (Da)
10.71
ALogP
10
HBA
2
HBD
116.3
PSA (Ų)
0.06
QED
2
Ro5 Violations
23
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C49H55ClFN5O6
MW 864.46
Aromatic Rings 6
Heavy Atoms 62
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
38739112 10.1021/acs.jmedchem.4c00128 Epidermal growth factor receptor 2
38739112 10.1021/acs.jmedchem.4c00128 Unchecked 2
38739112 10.1021/acs.jmedchem.4c00128 U-87 MG 1
38739112 10.1021/acs.jmedchem.4c00128 U-251 1

Data from ChEMBL 36 via Core Engine