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Compound Detail

CHEMBL3329666

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COc1ccc(C(=O)NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\c2[nH]c(C)c(-c3ccccc3)c2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3329666
Phase Preclinical
Structure Type MOL
InChI Key YBPGMDPPGUEWCN-JLPGSUDCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

506.6
MW (Da)
5.76
ALogP
4
HBA
4
HBD
112.3
PSA (Ų)
0.26
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H26N4O4
MW 506.56
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.86

Literature References

PubMed DOI Target Context # Activities
25089810 10.1016/j.ejmech.2014.07.108 MV4-11 2
25089810 10.1016/j.ejmech.2014.07.108 MOLM-13 2
25089810 10.1016/j.ejmech.2014.07.108 THP-1 2
25089810 10.1016/j.ejmech.2014.07.108 NON-PROTEIN TARGET 2
25089810 10.1016/j.ejmech.2014.07.108 Aurora kinase B 1
25089810 10.1016/j.ejmech.2014.07.108 Receptor-type tyrosine-protein kinase FLT3 1

Data from ChEMBL 36 via Core Engine