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Compound Detail

CHEMBL4092994

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COc1cccc(-c2ccc3c(NC(=O)c4ccc(N5CCN(C)CC5)cc4F)n[nH]c3c2)c1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4092994
Phase Preclinical
Structure Type MOL
InChI Key PAQIAXIDZLOADJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

477.5
MW (Da)
4.52
ALogP
5
HBA
2
HBD
73.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25F2N5O2
MW 477.52
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
28687204 10.1016/j.bmcl.2017.06.068 Fibroblast growth factor receptor 1 1
28687204 10.1016/j.bmcl.2017.06.068 Fibroblast growth factor receptor 2 1
28687204 10.1016/j.bmcl.2017.06.068 KG-1 1
28687204 10.1016/j.bmcl.2017.06.068 SNU-16 1

Data from ChEMBL 36 via Core Engine