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Compound Detail

CHEMBL5572229

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COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ccnc2cc1OCC1(N)CC1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5572229
Phase Preclinical
Structure Type MOL
InChI Key GTAUHBAHFJIAQT-UHFFFAOYSA-N
Parent Compound CHEMBL4303201
Active Moiety CHEMBL4303201
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

407.4
MW (Da)
4.83
ALogP
5
HBA
2
HBD
82.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23ClFN3O3
MW 443.91
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
37683364 10.1016/j.ejmech.2023.115762 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine