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Compound Detail

CHEMBL1738731

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Cn1cc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)cn1

Basic Information

ChEMBL ID CHEMBL1738731
Phase Preclinical
Structure Type MOL
InChI Key RNCNPRCUHHDYPC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
3.27
ALogP
6
HBA
0
HBD
60.9
PSA (Ų)
0.51
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 C20H16N6
MW 340.39
Aromatic Rings 5
Heavy Atoms 26
NP-Likeness -1.94

Activity Summary

IC50 1 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.85 7.85 14.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte growth factor receptor IC50 = 14.0 nM 7.85 Inhibition of c-Met (unknown origin) 26717201

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
26717201 10.1016/j.ejmech.2015.12.016 Hepatocyte growth factor receptor 1
28263602 10.1021/acs.jmedchem.7b00019 Aldehyde oxidase 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
38157838 10.1016/j.bmc.2023.117561 Unchecked 1

Data from ChEMBL 36 via Core Engine