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Compound Detail

CHEMBL3402760

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CN(C)CCCOc1cnc(-c2cccc(Cn3nc(-c4cccc(C#N)c4)ccc3=O)c2)nc1

Basic Information

ChEMBL ID CHEMBL3402760
Phase Preclinical
Structure Type MOL
InChI Key PPCTYYSLBWDGHQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names

Molecular Properties

466.6
MW (Da)
3.62
ALogP
8
HBA
0
HBD
96.9
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 C27H26N6O2
MW 466.55
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.82

Activity Summary

IC50 1 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.82 7.82 15.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 101.67 mL.min-1.kg-1 Mus musculus
F 32.0 % Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25736998 10.1016/j.bmcl.2015.02.002 Hepatocyte growth factor receptor 2
25736998 10.1016/j.bmcl.2015.02.002 Mus musculus 2
25736998 10.1016/j.bmcl.2015.02.002 No relevant target 1

Data from ChEMBL 36 via Core Engine