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Compound Detail

CHEMBL375577

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COc1ccc(C2CCCCC2)cc1NC(=O)c1ccc(C)c(Oc2ncccc2-c2ccnc3ccccc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL375577
Phase Preclinical
Structure Type MOL
InChI Key SHMGVQVSZPVFOT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

543.7
MW (Da)
8.71
ALogP
5
HBA
1
HBD
73.3
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H33N3O3
MW 543.67
Aromatic Rings 5
Heavy Atoms 41
NP-Likeness -0.83

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