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Compound Detail

CHEMBL4743439

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CCCCCCCCC1CCc2cc(CCC(N)(CO)COP(=O)(O)O)ccc2C1

Basic Information

ChEMBL ID CHEMBL4743439
Phase Preclinical
Structure Type MOL
InChI Key ZMRAZLUJHGBXRC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

441.6
MW (Da)
4.27
ALogP
4
HBA
4
HBD
113.0
PSA (Ų)
0.25
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H40NO5P
MW 441.55
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 1.02

Activity Summary

EC50 1 meas. best 8.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mus musculus
CHEMBL375
EC50 8.25 8.25 5.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mus musculus EC50 = 5.6 nM 8.25 Induction of lymphopenia in orally dosed Balb/c mouse assessed as reduction of c... 28002964

Literature References

PubMed DOI Target Context # Activities
28002964 10.1021/acs.jmedchem.6b01433 Cerebellum 3
28002964 10.1021/acs.jmedchem.6b01433 Mus musculus 1

Data from ChEMBL 36 via Core Engine