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Compound Detail

CHEMBL224750

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CN(C)C(=O)c1ccc(O)c(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL224750
Phase Preclinical
Structure Type MOL
InChI Key SHWUNTUXBKQEQO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

448.6
MW (Da)
4.58
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32N2O4
MW 448.56
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
17328532 10.1021/jm0610292 Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha 1
17328532 10.1021/jm0610292 AGS 1

Data from ChEMBL 36 via Core Engine