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Compound Detail

CHEMBL5532185

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CNc1nc(Cl)nc2c(C)[nH]nc12

Basic Information

ChEMBL ID CHEMBL5532185
Phase Preclinical
Structure Type MOL
InChI Key VTSIEWHGNUJVTJ-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

197.6
MW (Da)
1.36
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H8ClN5
MW 197.63
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -1.18

Activity Summary

IC50 1 meas. best 5.7
Kd 1 meas. best 6.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
YTH domain-containing protein 1
CHEMBL5169187
Kd 6.84 6.84 146.0 1
YTH domain-containing protein 1
CHEMBL5169187
IC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38787793 10.1021/acs.jmedchem.4c00599 YTH domain-containing protein 1 2

Data from ChEMBL 36 via Core Engine