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Compound Detail

CHEMBL4752948

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CN1CCCCOc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc(N4CCC4)cc1n3n2

Basic Information

ChEMBL ID CHEMBL4752948
Phase Preclinical
Structure Type MOL
InChI Key MHQSGZLERONLEJ-NRFANRHFSA-N
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names

Molecular Properties

478.6
MW (Da)
4.05
ALogP
7
HBA
0
HBD
66.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31FN6O2
MW 478.57
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.27

Activity Summary

EC50 1 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fusion glycoprotein F0
CHEMBL3856166
EC50 7.77 7.77 17.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.082 hr -
T1/2 0.105 hr -

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33190073 10.1016/j.bmc.2020.115818 No relevant target 2
33190073 10.1016/j.bmc.2020.115818 Fusion glycoprotein F0 1

Data from ChEMBL 36 via Core Engine