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Compound Detail

CHEMBL5199120

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O=C1C(P(=O)(NCc2ccccc2)Oc2ccc(F)cc2)CCCN1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5199120
Phase Preclinical
Structure Type MOL
InChI Key DWTOATTVJKTWHG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

378.3
MW (Da)
3.57
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20FN2O4P
MW 378.34
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.29

Activity Summary

IC50 1 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D-423MG
CHEMBL2366134
 IC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D-423MG IC50 = 100000.0 nM 4.0 Cytotoxicity against human D-423MG cells expressing ENO1 assessed as cell growth... 36251833

Literature References

PubMed DOI Target Context # Activities
36251833 10.1021/acs.jmedchem.2c01039 D-423MG 2
36251833 10.1021/acs.jmedchem.2c01039 Unchecked 1

Data from ChEMBL 36 via Core Engine