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Compound Detail

CHEMBL4644121

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CC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)cc2cnccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4644121
Phase Preclinical
Structure Type MOL
InChI Key FIDFAZRWFAAYIC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

375.5
MW (Da)
3.98
ALogP
6
HBA
0
HBD
57.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N5O
MW 375.48
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.83

Activity Summary

EC50 1 meas. best 9.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fusion glycoprotein F0
CHEMBL2364165
 EC50 9.6 9.6 0.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fusion glycoprotein F0 EC50 = 0.2512 nM 9.6 Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells asse... 32407115

Literature References

PubMed DOI Target Context # Activities
32407115 10.1021/acs.jmedchem.0c00226 ADMET 2
32407115 10.1021/acs.jmedchem.0c00226 Fusion glycoprotein F0 1
32407115 10.1021/acs.jmedchem.0c00226 HeLa 1

Data from ChEMBL 36 via Core Engine