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Compound Detail

CHEMBL4799446

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O=C(O)COc1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4799446
Phase Preclinical
Structure Type MOL
InChI Key UXXKLWUATBLXHW-STZFKDTASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)
4.12
ALogP
4
HBA
1
HBD
79.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H17FN2O4
MW 416.41
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.19

Activity Summary

IC50 1 meas. best 4.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.4 4.4 39610.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 39610.0 nM 4.4 Inhibition of recombinant Candida albicans SAP2 using Dabcyl-Arg-Lys-Pro-Ala-Leu... 32623209

Literature References

PubMed DOI Target Context # Activities
32623209 10.1016/j.ejmech.2020.112515 Unchecked 2

Data from ChEMBL 36 via Core Engine