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Compound Detail

CHEMBL1761945

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COc1cc2ncnc(N(C)c3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cc3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1761945
Phase Preclinical
Structure Type MOL
InChI Key IYYFKBHIIABFTD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

481.9
MW (Da)
5.85
ALogP
6
HBA
2
HBD
88.6
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21ClFN5O3
MW 481.92
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.51

Literature References

PubMed DOI Target Context # Activities
21353546 10.1016/j.bmcl.2011.01.137 Epidermal growth factor receptor 1
21353546 10.1016/j.bmcl.2011.01.137 Vascular endothelial growth factor receptor 2 1
21353546 10.1016/j.bmcl.2011.01.137 PC-3 1
21353546 10.1016/j.bmcl.2011.01.137 HT-29 1
21353546 10.1016/j.bmcl.2011.01.137 MCF7 1
21353546 10.1016/j.bmcl.2011.01.137 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine