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Compound Detail

CHEMBL4642110

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O=c1n(Cc2cc3cc(Br)ccc3n2CCCCO)c2cnccc2n1C1CC1

Basic Information

ChEMBL ID CHEMBL4642110
Phase Preclinical
Structure Type MOL
InChI Key NQKMOJOEYVFXFG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

455.4
MW (Da)
4.07
ALogP
6
HBA
1
HBD
65.0
PSA (Ų)
0.43
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 C22H23BrN4O2
MW 455.36
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.91

Activity Summary

EC50 1 meas. best 8.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fusion glycoprotein F0
CHEMBL2364165
EC50 8.9 8.9 1.3 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 HeLa 1

Data from ChEMBL 36 via Core Engine