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Compound Detail

CHEMBL4470085

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C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1cc2cccn2cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4470085
Phase Preclinical
Structure Type MOL
InChI Key DIMMOBZTUMWYCN-OAHLLOKOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
1.89
ALogP
5
HBA
0
HBD
75.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N4O3
MW 376.42
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.48

Activity Summary

EC50 1 meas. best 6.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
 EC50 6.39 6.39 407.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus 1 EC50 = 407.0 nM 6.39 Antiviral activity against ENV pseudotyped HIV1 JFRL infected in human HeLa67 ce... 30940396

Literature References

PubMed DOI Target Context # Activities
30940396 10.1016/j.bmcl.2019.03.018 MT2 1
30940396 10.1016/j.bmcl.2019.03.018 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine