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Compound Detail

CHEMBL4790514

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COCCNc1cc(NC(=O)N(C)c2ccc(CN3CCN(C)CC3=O)c(C=O)n2)ncc1C#N

Basic Information

ChEMBL ID CHEMBL4790514
Phase Preclinical
Structure Type MOL
InChI Key WMIQOTMTEKRJFD-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

480.5
MW (Da)
1.16
ALogP
9
HBA
2
HBD
143.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N8O4
MW 480.53
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -1.44

Activity Summary

IC50 3 meas. best 8.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3839
IC50 8.43 7.805 3.7 2
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 7.26 7.26 55.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 88.0 mL.min-1.kg-1 Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32930584 10.1021/acs.jmedchem.0c01019 ADMET 2
32930584 10.1021/acs.jmedchem.0c01019 Fibroblast growth factor receptor 4 2
32930584 10.1021/acs.jmedchem.0c01019 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine