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Compound Detail

CHEMBL1608453

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O=C(CC1Nc2ccccc2NC1=O)Nc1cc(Cl)cc(Cl)c1

Basic Information

ChEMBL ID CHEMBL1608453
Phase Preclinical
Structure Type MOL
InChI Key NGONDNXLVAFGIN-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

350.2
MW (Da)
3.75
ALogP
3
HBA
3
HBD
70.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13Cl2N3O2
MW 350.21
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.17

Activity Summary

EC50 2 meas. best 5.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neurotensin receptor type 1
CHEMBL4123
EC50 5.06 5.06 8640.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neurotensin receptor type 1 EC50 = 8640.0 nM 5.06 PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Ag... -

Data from ChEMBL 36 via Core Engine