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Compound Detail

CHEMBL4082005

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Nc1n[nH]c2cccc(-c3cccc(NC(=O)C4(C(=O)Nc5ccc(Cl)cc5Cl)CC4)c3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4082005
Phase Preclinical
Structure Type MOL
InChI Key CGYBDLADVICDCX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

480.4
MW (Da)
5.48
ALogP
4
HBA
4
HBD
112.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19Cl2N5O2
MW 480.36
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
28068599 10.1016/j.ejmech.2016.12.059 Vascular endothelial growth factor receptor 2 1
28068599 10.1016/j.ejmech.2016.12.059 Angiopoietin-1 receptor 1
28068599 10.1016/j.ejmech.2016.12.059 Ephrin type-B receptor 4 1

Data from ChEMBL 36 via Core Engine