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Compound Detail

CHEMBL5647226

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CC1CCN(c2cc(-c3ccnc(NC(=O)c4ccc(F)cc4)c3)ccn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5647226
Phase Preclinical
Structure Type MOL
InChI Key URMUGEWLOMMQON-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
4.77
ALogP
4
HBA
1
HBD
58.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23FN4O
MW 390.46
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
37837671 10.1016/j.ejmech.2023.115858 MDA-MB-231 1
37837671 10.1016/j.ejmech.2023.115858 L02 1
37837671 10.1016/j.ejmech.2023.115858 A549 1
37837671 10.1016/j.ejmech.2023.115858 HeLa 1

Data from ChEMBL 36 via Core Engine