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Compound Detail

CHEMBL4096138

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Cc1n[nH]c2nccc(-c3ccc(NC(=O)NC4CCCCC4)cc3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4096138
Phase Preclinical
Structure Type MOL
InChI Key YUPBHYDNMOPCTJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
4.39
ALogP
3
HBA
3
HBD
82.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N5O
MW 349.44
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.36

Literature References

PubMed DOI Target Context # Activities
28541695 10.1021/acs.jmedchem.7b00468 Vascular endothelial growth factor receptor 2 1
28541695 10.1021/acs.jmedchem.7b00468 Mast/stem cell growth factor receptor Kit 1
28541695 10.1021/acs.jmedchem.7b00468 Platelet-derived growth factor receptor alpha 1

Data from ChEMBL 36 via Core Engine