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Compound Detail

CHEMBL3329667

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COc1ccc(C(=O)NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\c2ccc(C(=O)O)[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3329667
Phase Preclinical
Structure Type MOL
InChI Key CRZHBTHNNBIEMX-YVLHZVERSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

446.4
MW (Da)
3.18
ALogP
5
HBA
5
HBD
149.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18N4O6
MW 446.42
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.74

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