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Compound Detail

CHEMBL1487205

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O=C1NC(=S)NC(=O)C1=Cc1cccc2cc3ccccc3cc12

Basic Information

ChEMBL ID CHEMBL1487205
Phase Preclinical
Structure Type MOL
InChI Key VZXTYHSPZZIJRW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
2.91
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.31
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12N2O2S
MW 332.38
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.72

Activity Summary

IC50 1 meas. best 4.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C-C chemokine receptor type 6
CHEMBL4423
IC50 4.43 4.43 37000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
C-C chemokine receptor type 6 IC50 = 37000.0 nM 4.43 PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... -

Data from ChEMBL 36 via Core Engine