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Compound Detail

CHEMBL3962621

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N#Cc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)cc1C1CCOCC1

Basic Information

ChEMBL ID CHEMBL3962621
Phase Preclinical
Structure Type MOL
InChI Key GURMECOKUZULQS-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.4
MW (Da)
3.04
ALogP
6
HBA
1
HBD
108.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N5O3
MW 391.43
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.14

Activity Summary

IC50 3 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 7.77 7.4533 17.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
29541363 10.1021/acsmedchemlett.7b00485 Fibroblast growth factor receptor 4 2

Data from ChEMBL 36 via Core Engine