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Compound Detail

CHEMBL3758539

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CN1CCN(Cc2cnc(Nc3cccc(Cn4nc(-c5cnn(C)c5)ccc4=O)c3)nc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3758539
Phase Preclinical
Structure Type MOL
InChI Key WHAXNYVEJQCIRM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

471.6
MW (Da)
1.97
ALogP
10
HBA
1
HBD
97.0
PSA (Ų)
0.44
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 C25H29N9O
MW 471.57
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -2.16

Literature References

PubMed DOI Target Context # Activities
26698536 10.1016/j.ejmech.2015.11.042 Hepatocyte growth factor receptor 1
26698536 10.1016/j.ejmech.2015.11.042 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine