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Compound Detail

CHEMBL4649477

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CC(C)(O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)cc2cc(Cl)ccc21

Basic Information

ChEMBL ID CHEMBL4649477
Phase Preclinical
Structure Type MOL
InChI Key OVMGEAUNYFNFEZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

439.0
MW (Da)
4.74
ALogP
6
HBA
1
HBD
65.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27ClN4O2
MW 438.96
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.82

Activity Summary

EC50 1 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fusion glycoprotein F0
CHEMBL2364165
EC50 8.8 8.8 1.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine