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Compound Detail

CHEMBL4466155

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COc1ccccc1C1CCN(c2nc(C3CC3)nc3c(Cl)cc(N(C)CCO)cc23)CC1

Basic Information

ChEMBL ID CHEMBL4466155
Phase Preclinical
Structure Type MOL
InChI Key ANBQSYOMPVETOT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

467.0
MW (Da)
4.98
ALogP
6
HBA
1
HBD
61.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31ClN4O2
MW 467.01
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.20

Activity Summary

EC50 1 meas. best 6.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neurotensin receptor type 1
CHEMBL4123
EC50 6.66 6.66 220.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
31390201 10.1021/acs.jmedchem.9b00340 Neurotensin receptor type 1 2
31390201 10.1021/acs.jmedchem.9b00340 Neurotensin receptor type 2 1

Data from ChEMBL 36 via Core Engine