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Compound Detail

CHEMBL462358

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COc1cc2nccc(Oc3ccc(NC(=O)N4CCNCC4)nc3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL462358
Phase Preclinical
Structure Type MOL
InChI Key VRXHQWAJCSWOBJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.4
MW (Da)
2.88
ALogP
7
HBA
2
HBD
97.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N5O4
MW 409.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
17964000 10.1016/j.ejmech.2007.08.011 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine