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Compound Detail

CHEMBL4292870

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O=C(Nc1ccnc(Cl)c1)Nc1ccccn1

Basic Information

ChEMBL ID CHEMBL4292870
Phase Preclinical
Structure Type MOL
InChI Key VPYIBVZWTOMGGV-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

248.7
MW (Da)
2.77
ALogP
3
HBA
2
HBD
66.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H9ClN4O
MW 248.67
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -2.13

Activity Summary

IC50 2 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transcription activator BRG1
CHEMBL3085620
IC50 5.77 5.77 1700.0 1
Probable global transcription activator SNF2L2
CHEMBL2362979
IC50 5.42 5.42 3800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30339381 10.1021/acs.jmedchem.8b01318 Transcription activator BRG1 1
30339381 10.1021/acs.jmedchem.8b01318 Probable global transcription activator SNF2L2 1

Data from ChEMBL 36 via Core Engine