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Compound Detail

CHEMBL4580145

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COc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CCN(C)CC5)cc4)nn(C)c3n2)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4580145
Phase Preclinical
Structure Type MOL
InChI Key UHLLQMCIMGNOQJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

555.5
MW (Da)
4.96
ALogP
8
HBA
1
HBD
84.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28Cl2N6O3
MW 555.47
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
27326339 10.1021/acsmedchemlett.6b00066 Fibroblast growth factor receptor 1 1
27326339 10.1021/acsmedchemlett.6b00066 Vascular endothelial growth factor receptor 2 1
27326339 10.1021/acsmedchemlett.6b00066 NCI-H1581 1

Data from ChEMBL 36 via Core Engine