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Compound Detail

CHEMBL2170964

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Fc1ccc(-c2cnc3nnc(COc4ccnc5ccsc45)n3n2)cc1

Basic Information

ChEMBL ID CHEMBL2170964
Phase Preclinical
Structure Type MOL
InChI Key DZWZUPWXIBCAEV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
3.51
ALogP
8
HBA
0
HBD
78.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H11FN6OS
MW 378.39
Aromatic Rings 5
Heavy Atoms 27
NP-Likeness -2.14

Activity Summary

Ki 1 meas. best 6.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
Ki 6.37 6.37 425.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 17.4 mL.min-1.g-1 Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22924734 10.1021/jm300967g Hepatocyte growth factor receptor 2
22924734 10.1021/jm300967g Hepatocyte 1
22924734 10.1021/jm300967g Liver microsomes 1

Data from ChEMBL 36 via Core Engine