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Compound Detail

CHEMBL4443649

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C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1C(=O)Nc1ccc(Oc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4443649
Phase Preclinical
Structure Type MOL
InChI Key DMSXISBOLPKEFO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

640.8
MW (Da)
6.88
ALogP
9
HBA
4
HBD
123.8
PSA (Ų)
0.11
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H36N8O3
MW 640.75
Aromatic Rings 5
Heavy Atoms 48
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
31935084 10.1021/acs.jmedchem.9b01502 Fibroblast growth factor receptor 1 1
31935084 10.1021/acs.jmedchem.9b01502 Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine