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Compound Detail

CHEMBL4637939

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

Basic Information

ChEMBL ID CHEMBL4637939
Phase Preclinical
Structure Type MOL
InChI Key HYKBSGMYUFSNMV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

457.5
MW (Da)
6.29
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24NO4P
MW 457.47
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.35

Activity Summary

Ki 1 meas. best 6.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 6.34 6.34 460.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 460.0 nM 6.34 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