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Compound Detail

CHEMBL390074

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CC1(C)C(=O)CC[C@]2(C)[C@H]3C[C@@H]4C5C(=O)[C@]3(CC[C@@H]12)[C@H](I)[C@]54C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL390074
Phase Preclinical
Structure Type MOL
InChI Key VNWRDBPBVSYXIU-PFWRKMMTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

426.3
MW (Da)
4.44
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27IO2
MW 426.34
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 3.37

Literature References

PubMed DOI Target Context # Activities
17547457 10.1021/np0603976 Aorta 1
17547457 10.1021/np0603976 HeLa 1

Data from ChEMBL 36 via Core Engine