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Compound Detail

CHEMBL4632500

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O=C(/C=C/CN1CCOCC1)N1CCCOc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4632500
Phase Preclinical
Structure Type MOL
InChI Key ZIBGWVMVDVXMIC-QHHAFSJGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

604.1
MW (Da)
5.75
ALogP
8
HBA
1
HBD
89.0
PSA (Ų)
0.25
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H31ClFN5O4
MW 604.08
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness -1.51

Literature References

PubMed DOI Target Context # Activities
32139324 10.1016/j.bmcl.2020.127045 NCI-N87 1
32139324 10.1016/j.bmcl.2020.127045 NCI-H1975 1
32139324 10.1016/j.bmcl.2020.127045 A-431 1
32139324 10.1016/j.bmcl.2020.127045 BT-474 1
32139324 10.1016/j.bmcl.2020.127045 Calu-3 1
32139324 10.1016/j.bmcl.2020.127045 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine