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Compound Detail

CHEMBL5181774

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CC(C)/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1NCc1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5181774
Phase Preclinical
Structure Type MOL
InChI Key IJVNQOMFBWXQES-QCKNELIISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

436.5
MW (Da)
6.19
ALogP
4
HBA
1
HBD
42.2
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25FN4
MW 436.53
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.05

Activity Summary

EC50 1 meas. best 5.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lyssavirus rabies
CHEMBL4513192
 EC50 5.72 5.72 1900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lyssavirus rabies EC50 = 1900.0 nM 5.72 Antirabies activity against rabies CVS infected in golden hamster BSR cells prei... 35279610

Literature References

PubMed DOI Target Context # Activities
35279610 10.1016/j.ejmech.2022.114209 ADMET 2
35279610 10.1016/j.ejmech.2022.114209 Unchecked 1
35279610 10.1016/j.ejmech.2022.114209 Lyssavirus rabies 1
35279610 10.1016/j.ejmech.2022.114209 Huh-7 1
35279610 10.1016/j.ejmech.2022.114209 SARS-CoV-2 1

Data from ChEMBL 36 via Core Engine