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Compound Detail

CHEMBL496483

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Brc1cnc(NCc2ccccc2)nc1Nc1cc(C2CC2)[nH]n1

Basic Information

ChEMBL ID CHEMBL496483
Phase Preclinical
Structure Type MOL
InChI Key IZEZSPVHWUPXAH-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

385.3
MW (Da)
4.20
ALogP
5
HBA
3
HBD
78.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17BrN6
MW 385.27
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.28

Activity Summary

IC50 3 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
IC50 6.3 6.3 500.0 2
High affinity nerve growth factor receptor
CHEMBL2815
IC50 6.12 6.12 750.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18646745 10.1021/jm800343j High affinity nerve growth factor receptor 1
18646745 10.1021/jm800343j Liver microsomes 1
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine