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Compound Detail

CHEMBL4635434

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CC(C)CC(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4635434
Phase Preclinical
Structure Type MOL
InChI Key CNEOAKIQDHKXOE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
5.97
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.42
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28NO4P
MW 437.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.29

Activity Summary

Ki 1 meas. best 4.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 4.67 4.67 21600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 21600.0 nM 4.67 Inhibition of bovine chymotrypsin using flurogenic substrate as chymotrypsin sub... 32944141

Literature References

PubMed DOI Target Context # Activities
32944141 10.1021/acsmedchemlett.0c00284 Unchecked 4

Data from ChEMBL 36 via Core Engine