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Compound Detail

CHEMBL3912896

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COCCNc1cc(NC(=O)N2CCCc3cc(N4CCOC4=O)c(C=O)nc32)ncc1C#N

Basic Information

ChEMBL ID CHEMBL3912896
Phase Preclinical
Structure Type MOL
InChI Key VVGMZXRVMVDJIN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

465.5
MW (Da)
2.16
ALogP
9
HBA
2
HBD
149.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N7O5
MW 465.47
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -1.57

Activity Summary

IC50 1 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 9.7 9.7 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine