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Compound Detail

CHEMBL2178413

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O=C(/C=C/Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cccc(C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2178413
Phase Preclinical
Structure Type MOL
InChI Key LVWRGJVPTQVTPP-CMDGGOBGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
5.38
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.49
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27NO4
MW 417.51
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
23153200 10.1021/jm301419d HCT-116 1
23153200 10.1021/jm301419d Hypoxia-inducible factor 1-alpha 1

Data from ChEMBL 36 via Core Engine