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Compound Detail

CHEMBL1540679

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CCc1cccc(CC)c1-n1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1540679
Phase Preclinical
Structure Type MOL
InChI Key LOXUGDZVGGNELS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

483.6
MW (Da)
5.13
ALogP
6
HBA
0
HBD
63.9
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29N5OS
MW 483.64
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.87

Activity Summary

EC50 1 meas. best 5.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neurotensin receptor type 1
CHEMBL4123
 EC50 5.38 5.38 4160.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neurotensin receptor type 1 EC50 = 4160.0 nM 5.38 PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Ag... -

Data from ChEMBL 36 via Core Engine