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Compound Detail

CHEMBL5395676

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Nc1nnc(-c2ccco2)cc1N1CCCCC1

Basic Information

ChEMBL ID CHEMBL5395676
Phase Preclinical
Structure Type MOL
InChI Key CYIOSXQKVMNEBD-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

244.3
MW (Da)
2.31
ALogP
5
HBA
1
HBD
68.2
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16N4O
MW 244.30
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.43

Activity Summary

Kd 3 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein polybromo-1
CHEMBL1795184
Kd 5.85 5.85 1400.0 1
Probable global transcription activator SNF2L2
CHEMBL2362979
Kd 5.75 5.75 1800.0 1
Transcription activator BRG1
CHEMBL3085620
Kd 5.31 5.31 4900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37702400 10.1021/acs.jmedchem.3c01149 Protein polybromo-1 2
37702400 10.1021/acs.jmedchem.3c01149 Probable global transcription activator SNF2L2 1
37702400 10.1021/acs.jmedchem.3c01149 Transcription activator BRG1 1

Data from ChEMBL 36 via Core Engine