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Compound Detail

CHEMBL3786574

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Cc1ccc2c(c1)oc(=O)n2CCOc1ccnc2cc(OCCCN3CCCC3)ccc12

Basic Information

ChEMBL ID CHEMBL3786574
Phase Preclinical
Structure Type MOL
InChI Key JWVCVFSQQYLWPI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
4.39
ALogP
7
HBA
0
HBD
69.7
PSA (Ų)
0.35
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29N3O4
MW 447.54
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.37

Activity Summary

IC50 1 meas. best 8.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 8.23 8.23 5.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27017548 10.1016/j.ejmech.2016.03.027 NON-PROTEIN TARGET 1
27017548 10.1016/j.ejmech.2016.03.027 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine