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Compound Detail

CHEMBL1923491

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N#C/C=C/c1cc(F)cc(Oc2ccc(Cl)cc2OCCn2ccc(=O)[nH]c2=O)c1

Basic Information

ChEMBL ID CHEMBL1923491
Phase Preclinical
Structure Type MOL
InChI Key FWMJMXYONYSPRM-OWOJBTEDSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

427.8
MW (Da)
3.74
ALogP
6
HBA
1
HBD
97.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15ClFN3O4
MW 427.82
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.07

Activity Summary

EC50 4 meas. best 8.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
EC50 8.49 7.4625 3.2 4

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22081993 10.1021/jm201134m Human immunodeficiency virus 1 4
22081993 10.1021/jm201134m MT2 2

Data from ChEMBL 36 via Core Engine