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Compound Detail

CHEMBL376548

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CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@]13C(=O)C4[C@H](C[C@@H]21)[C@]4(C)[C@H]3O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL376548
Phase Preclinical
Structure Type MOL
InChI Key NWOOYBPWWPOWNL-QIXGWGSDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
2.99
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.75
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 C20H28O3
MW 316.44
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 3.50

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