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Compound Detail

CHEMBL5630633

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O=C1c2cccc3cccc(c23)C(=O)N1CCCc1nnc(CCn2nc(Cc3ccc(F)cc3)c3ccccc3c2=O)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5630633
Phase Preclinical
Structure Type MOL
InChI Key XBHCVCBIYXXRAO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

587.6
MW (Da)
5.13
ALogP
8
HBA
0
HBD
111.2
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H26FN5O4
MW 587.61
Aromatic Rings 6
Heavy Atoms 44
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
37406384 10.1016/j.ejmech.2023.115598 HCT-116 2
37406384 10.1016/j.ejmech.2023.115598 MIA PaCa-2 2
37406384 10.1016/j.ejmech.2023.115598 PANC-1 2

Data from ChEMBL 36 via Core Engine