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Compound Detail

CHEMBL3116255

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COC(=O)c1cn(C[C@@]2(O)[C@]34O[C@H]3C[C@H]3C5=C(CC[C@]3(C)[C@@]43O[C@H]3[C@@H]3O[C@@]32C(C)C)C(=O)OC5)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3116255
Phase Preclinical
Structure Type MOL
InChI Key WMYZBCDEXYMAMV-XAMCKZOFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

499.5
MW (Da)
0.55
ALogP
11
HBA
1
HBD
141.1
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29N3O8
MW 499.52
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness 1.56

Literature References

PubMed DOI Target Context # Activities
24378709 10.1016/j.ejmech.2013.11.044 PC-3 1
24378709 10.1016/j.ejmech.2013.11.044 SK-OV-3 1

Data from ChEMBL 36 via Core Engine