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Compound Detail

CHEMBL4165736

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CC(C)c1ccc(NC(=S)N/N=C/c2cc(Cl)cc(Cl)c2O)cc1

Basic Information

ChEMBL ID CHEMBL4165736
Phase Preclinical
Structure Type MOL
InChI Key GCBFQVKSESVEOZ-AWQFTUOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

382.3
MW (Da)
5.14
ALogP
3
HBA
3
HBD
56.6
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17Cl2N3OS
MW 382.32
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.90

Activity Summary

IC50 2 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
rRNA adenine N-6-methyltransferase
CHEMBL4295563
IC50 6.35 6.35 450.0 1
23S rRNA methylase leader peptide
CHEMBL5291611
IC50 6.35 6.35 450.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
29396363 10.1016/j.ejmech.2017.11.032 rRNA adenine N-6-methyltransferase 1
37122541 10.1039/d2md00459c 23S rRNA methylase leader peptide 1

Data from ChEMBL 36 via Core Engine