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Compound Detail

CHEMBL5092670

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CN(C)c1nc(Nc2cccc(O)c2)nc2ccccc12

Basic Information

ChEMBL ID CHEMBL5092670
Phase Preclinical
Structure Type MOL
InChI Key IELQFYKDDVNUSW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
3.15
ALogP
5
HBA
2
HBD
61.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N4O
MW 280.33
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.12

Activity Summary

IC50 1 meas. best 4.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.12 4.12 75000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 75000.0 nM 4.12 Induction of disruption of r(CCUG)12-MBNL1 complex (unknown origin) incubated fo... 34101465

Literature References

PubMed DOI Target Context # Activities
34101465 10.1021/acs.jmedchem.1c00414 Unchecked 1
- 10.6019/EOS300108 HepG2 1

Data from ChEMBL 36 via Core Engine