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Compound Detail

CHEMBL4800612

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O=c1ccc2ccc(Oc3nc(Nc4ccc(N5CCC(N6CCCCC6)CC5)cc4)nc4ccsc34)cc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4800612
Phase Preclinical
Structure Type MOL
InChI Key FNFKWCVAYRNFCF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

552.7
MW (Da)
6.52
ALogP
8
HBA
2
HBD
86.4
PSA (Ų)
0.25
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H32N6O2S
MW 552.70
Aromatic Rings 5
Heavy Atoms 40
NP-Likeness -1.44

Literature References

PubMed DOI Target Context # Activities
32402937 10.1016/j.ejmech.2020.112388 Epidermal growth factor receptor 3

Data from ChEMBL 36 via Core Engine