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Compound Detail

CHEMBL226255

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CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]13C(=O)C4[C@@H](C[C@@H]12)[C@]4(C)C3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL226255
Phase Preclinical
Structure Type MOL
InChI Key ZYMHAOMKSGLSHJ-XDNFRISMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
3.20
ALogP
3
HBA
0
HBD
51.2
PSA (Ų)
0.65
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 C20H26O3
MW 314.43
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 3.44

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