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Compound Detail

CHEMBL3401368

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CC(=O)Nc1nc(O)c2nc(-c3ccc(C)cc3C)[nH]c2n1

Basic Information

ChEMBL ID CHEMBL3401368
Phase Preclinical
Structure Type MOL
InChI Key IHWHWDFGVWCQST-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

297.3
MW (Da)
2.30
ALogP
5
HBA
3
HBD
103.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N5O2
MW 297.32
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.16

Activity Summary

IC50 3 meas. best 5.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 5.04 5.04 9130.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 5.02 5.02 9590.0 1
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 4.71 4.71 19580.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25736993 10.1016/j.bmcl.2015.02.010 Fibroblast growth factor receptor 4 1
25736993 10.1016/j.bmcl.2015.02.010 Fibroblast growth factor receptor 3 1
25736993 10.1016/j.bmcl.2015.02.010 Fibroblast growth factor receptor 2 1
25736993 10.1016/j.bmcl.2015.02.010 Fibroblast growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine