Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1385214

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CSc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1

Basic Information

ChEMBL ID CHEMBL1385214
Phase Preclinical
Structure Type MOL
InChI Key VEAIBKBARVLXCA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

309.5
MW (Da)
3.41
ALogP
5
HBA
1
HBD
54.9
PSA (Ų)
0.69
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 C14H19N3OS2
MW 309.46
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.97

Activity Summary

EC50 1 meas. best 5.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neurotensin receptor type 1
CHEMBL4123
EC50 5.09 5.09 8210.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neurotensin receptor type 1 EC50 = 8210.0 nM 5.09 PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Ag... -

Data from ChEMBL 36 via Core Engine