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Compound Detail

CHEMBL260199

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Cc1cc2cc(Oc3ncnn4cc(OC[C@@H](C)O)c(C)c34)cnc2[nH]1

Basic Information

ChEMBL ID CHEMBL260199
Phase Preclinical
Structure Type MOL
InChI Key TWMZCSILGUQRIG-LLVKDONJSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

353.4
MW (Da)
2.77
ALogP
7
HBA
2
HBD
97.6
PSA (Ų)
0.57
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 C18H19N5O3
MW 353.38
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.84

Activity Summary

IC50 1 meas. best 6.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.91 6.91 122.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC - - Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 122.0 nM 6.91 Inhibition of human VEGFR2 18395443

Literature References

PubMed DOI Target Context # Activities
18395443 10.1016/j.bmcl.2008.03.057 Vascular endothelial growth factor receptor 2 1
18395443 10.1016/j.bmcl.2008.03.057 Mus musculus 1

Data from ChEMBL 36 via Core Engine