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Compound Detail

CHEMBL44802

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CCCCCCNC(=O)CN1CC(=O)N(CCC)[C@@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL44802
Phase Preclinical
Structure Type MOL
InChI Key ZPESDACQKONFQV-VWLOTQADSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

553.7
MW (Da)
4.07
ALogP
6
HBA
1
HBD
97.4
PSA (Ų)
0.33
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H43N3O6
MW 553.70
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
15026057 10.1016/j.bmcl.2004.01.043 Follicle-stimulating hormone receptor 1

Data from ChEMBL 36 via Core Engine