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Compound Detail

CHEMBL369490

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O=C1Nc2ncc(Br)cc2/C1=C/c1cccc(Oc2ccccc2)c1

Basic Information

ChEMBL ID CHEMBL369490
Phase Preclinical
Structure Type MOL
InChI Key ZAQPJTWHEWHPNC-ZDLGFXPLSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

393.2
MW (Da)
5.13
ALogP
3
HBA
1
HBD
51.2
PSA (Ų)
0.63
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13BrN2O2
MW 393.24
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.57

Activity Summary

IC50 2 meas. best 7.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
IC50 7.21 7.21 61.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15013000 10.1016/j.bmcl.2003.12.002 High affinity nerve growth factor receptor 1
15013000 10.1016/j.bmcl.2003.12.002 RAF proto-oncogene serine/threonine-protein kinase 1
15013000 10.1016/j.bmcl.2003.12.002 Cyclin-dependent kinase 2/cyclin A 1
27318978 10.1016/j.ejmech.2016.06.003 High affinity nerve growth factor receptor 1

Data from ChEMBL 36 via Core Engine