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Compound Detail

CHEMBL3808466

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COC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)cnc2[nH]1

Basic Information

ChEMBL ID CHEMBL3808466
Phase Preclinical
Structure Type MOL
InChI Key MPKPLIIMXGFXDA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

526.6
MW (Da)
4.27
ALogP
7
HBA
3
HBD
102.6
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H34N6O3
MW 526.64
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
27010810 10.1021/acs.jmedchem.6b00087 HUVEC 1
27010810 10.1021/acs.jmedchem.6b00087 Fibroblast growth factor receptor 2 1
27010810 10.1021/acs.jmedchem.6b00087 Serine/threonine-protein kinase B-raf 1
27010810 10.1021/acs.jmedchem.6b00087 Epidermal growth factor receptor 1
27010810 10.1021/acs.jmedchem.6b00087 Platelet-derived growth factor receptor alpha 1
27010810 10.1021/acs.jmedchem.6b00087 Proto-oncogene tyrosine-protein kinase Src 1
27010810 10.1021/acs.jmedchem.6b00087 Vascular endothelial growth factor receptor 2 1
27010810 10.1021/acs.jmedchem.6b00087 HepG2 1

Data from ChEMBL 36 via Core Engine