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Compound Detail

CHEMBL5594667

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C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCNC(=O)/C=C/c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)c2c1)c1c(Cl)cncc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5594667
Phase Preclinical
Structure Type MOL
InChI Key GCYJWYWXJRLACE-PPLRBPCNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

709.5
MW (Da)
8.64
ALogP
6
HBA
2
HBD
97.7
PSA (Ų)
0.11
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H24Cl2F6N6O2
MW 709.48
Aromatic Rings 5
Heavy Atoms 48
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
38908103 10.1016/j.ejmech.2024.116612 Fibroblast growth factor receptor 2 1
38908103 10.1016/j.ejmech.2024.116612 KATO III stomach cancer cell line 1

Data from ChEMBL 36 via Core Engine