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Compound Detail

CHEMBL1824870

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N#Cc1ccccc1COc1cc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cnc1N

Basic Information

ChEMBL ID CHEMBL1824870
Phase Preclinical
Structure Type MOL
InChI Key NHXSULDTYDKXNA-AREMUKBSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

481.6
MW (Da)
4.48
ALogP
6
HBA
1
HBD
95.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H31N5O2
MW 481.60
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.29

Activity Summary

Ki 1 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
Ki 5.19 5.19 6500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21812414 10.1021/jm2007613 Hepatocyte growth factor receptor 2

Data from ChEMBL 36 via Core Engine