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Compound Detail

CHEMBL1516633

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O=C(NCCN1CCOCC1)c1ccc(-c2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL1516633
Phase Preclinical
Structure Type MOL
InChI Key YTLASBXFYKFUQU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
2.42
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.92
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N2O2
MW 310.40
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.47

Activity Summary

IC50 1 meas. best 5.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Programmed cell death 1 ligand 1
CHEMBL3580522
IC50 5.81 5.81 1544.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38367489 10.1016/j.ejmech.2024.116182 Programmed cell death 1 ligand 1 1

Data from ChEMBL 36 via Core Engine