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Compound Detail

CHEMBL4289111

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COc1ccc(C2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc(CCCO)nn32)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4289111
Phase Preclinical
Structure Type MOL
InChI Key LURIDYPOICVSBV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

467.5
MW (Da)
3.29
ALogP
8
HBA
3
HBD
110.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26FN5O4
MW 467.50
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
30109001 10.1039/C8MD00219C Unchecked 1
30109001 10.1039/C8MD00219C A549 1
30109001 10.1039/C8MD00219C HCT-116 1
30109001 10.1039/C8MD00219C ZR-75-30 1

Data from ChEMBL 36 via Core Engine