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Compound Detail

CHEMBL3330976

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COc1ccc(C(=O)NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C/c2ccncc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3330976
Phase Preclinical
Structure Type MOL
InChI Key HQYIQBZOPMNSDJ-XDHOZWIPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

414.4
MW (Da)
3.54
ALogP
5
HBA
3
HBD
109.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18N4O4
MW 414.42
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.18

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