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Compound Detail

CHEMBL4640078

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O=c1n(Cc2cc3cc(Cl)ccc3n2CCCCF)c2cnccc2n1C1CC1

Basic Information

ChEMBL ID CHEMBL4640078
Phase Preclinical
Structure Type MOL
InChI Key CYNPQKZIFRFIFF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

412.9
MW (Da)
4.94
ALogP
5
HBA
0
HBD
44.8
PSA (Ų)
0.40
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 C22H22ClFN4O
MW 412.90
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.33

Activity Summary

EC50 1 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fusion glycoprotein F0
CHEMBL2364165
EC50 9.1 9.1 0.8 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