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Compound Detail

CHEMBL5192439

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CSc1oc(-c2ccc(Cl)cc2Cl)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5192439
Phase Preclinical
Structure Type MOL
InChI Key OKRIPLOYMYWENR-UHFFFAOYSA-M
Parent Compound CHEMBL5222248
Active Moiety CHEMBL5222248
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

521.4
MW (Da)
6.99
ALogP
3
HBA
0
HBD
26.0
PSA (Ų)
0.18
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H21Cl2INOPS
MW 648.33
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -0.68

Activity Summary

IC50 1 meas. best 5.77
Ki 1 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Furin
CHEMBL2611
 Ki 5.8 5.8 1570.0 1
Unchecked
CHEMBL612545
 IC50 5.77 5.77 1700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Furin Ki = 1570.0 nM 5.8 Inhibition of furin (unknown origin) 34340303
Unchecked IC50 = 1700.0 nM 5.77 Inhibition of human papilloma virus-11 replication in HEK293 cells measured by t... 34340303

Literature References

PubMed DOI Target Context # Activities
34340303 10.1021/acs.jmedchem.1c00518 Furin 1
34340303 10.1021/acs.jmedchem.1c00518 Unchecked 1

Data from ChEMBL 36 via Core Engine