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Compound Detail

CHEMBL1438069

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CC(C)c1ccc(Nc2nnc(SC3CCOC3=O)s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1438069
Phase Preclinical
Structure Type MOL
InChI Key UKDCMYKKXNUKFS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
3.81
ALogP
7
HBA
1
HBD
64.1
PSA (Ų)
0.84
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 C15H17N3O2S2
MW 335.45
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.43

Activity Summary

EC50 1 meas. best 5.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neurotensin receptor type 1
CHEMBL4123
 EC50 5.13 5.13 7370.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neurotensin receptor type 1 EC50 = 7370.0 nM 5.13 PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Ag... -

Data from ChEMBL 36 via Core Engine