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Compound Detail

CHEMBL2431841

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Cn1cc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cn1

Basic Information

ChEMBL ID CHEMBL2431841
Phase Preclinical
Structure Type MOL
InChI Key NSNLFHBIYLDZLA-UHFFFAOYSA-N
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
2.66
ALogP
7
HBA
0
HBD
73.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15N7
MW 341.38
Aromatic Rings 5
Heavy Atoms 26
NP-Likeness -2.49

Activity Summary

IC50 3 meas. best 7.36
Ki 2 meas. best 8.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
Ki 8.04 7.585 9.1 2
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.36 7.0667 44.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23944843 10.1021/jm400926x Hepatocyte growth factor receptor 2
25148209 10.1021/jm500510f Hepatocyte growth factor receptor 2
23944843 10.1021/jm400926x No relevant target 1
23944843 10.1021/jm400926x Liver microsomes 1

Data from ChEMBL 36 via Core Engine