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Compound Detail

CHEMBL4072232

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CCN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(-c5cccc(OC)c5F)ccc34)cc2C(F)(F)F)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4072232
Phase Preclinical
Structure Type MOL
InChI Key KEJCRUAFJYRTSK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

541.5
MW (Da)
5.79
ALogP
5
HBA
2
HBD
73.5
PSA (Ų)
0.30
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27F4N5O2
MW 541.55
Aromatic Rings 4
Heavy Atoms 39
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