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Compound Detail

CHEMBL375792

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COc1ccc(C2CCCCC2)cc1NC(=O)c1ccc(C)c(Oc2ncccc2-c2ncnc3cc(OC)c(OC)cc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL375792
Phase Preclinical
Structure Type MOL
InChI Key NJUPUUPUXIZPJV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

604.7
MW (Da)
8.12
ALogP
8
HBA
1
HBD
104.7
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H36N4O5
MW 604.71
Aromatic Rings 5
Heavy Atoms 45
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
17253678 10.1021/jm061107l Vascular endothelial growth factor receptor 2 1
17253678 10.1021/jm061107l Angiopoietin-1 receptor 1

Data from ChEMBL 36 via Core Engine