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Compound Detail

CHEMBL2178412

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COC(=O)c1cc(NC(=O)/C=C/Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2178412
Phase Preclinical
Structure Type MOL
InChI Key BZUJMAIYBRUMFM-CMDGGOBGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
5.18
ALogP
5
HBA
2
HBD
84.9
PSA (Ų)
0.28
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 C27H29NO5
MW 447.53
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.24

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