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Compound Detail

CHEMBL4536298

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NC(=O)C1CCN(CCOc2ccc(-c3n[nH]cc3-c3ccccc3)c(O)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4536298
Phase Preclinical
Structure Type MOL
InChI Key PYIQTHALSLWYHD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
3.03
ALogP
5
HBA
3
HBD
104.5
PSA (Ų)
0.56
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 C23H26N4O3
MW 406.49
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.15

Activity Summary

IC50 1 meas. best 5.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ebolavirus
CHEMBL4434621
 IC50 5.51 5.51 3100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ebolavirus IC50 = 3100.0 nM 5.51 Antiviral activity against HIV-1-derived Ebolavirus pseudoparticle infected in h... 30785281

Literature References

PubMed DOI Target Context # Activities
30785281 10.1021/acs.jmedchem.8b01328 Ebolavirus 2
30785281 10.1021/acs.jmedchem.8b01328 Unchecked 1

Data from ChEMBL 36 via Core Engine