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Compound Detail

CHEMBL1221965

DORRIGOCIN B
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CO[C@@H](/C=C/CC/C=C/C(=O)O)[C@@H](O)[C@H](C)[C@@H](O)/C(C)=C/[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1221965
Name DORRIGOCIN B
Phase Preclinical
Structure Type MOL
InChI Key YQDJUXPUIRGKNV-NRWIMSPQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

507.6
MW (Da)
2.71
ALogP
7
HBA
4
HBD
150.2
PSA (Ų)
0.11
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C27H41NO8
MW 507.62
Aromatic Rings 0
Heavy Atoms 36
NP-Likeness 1.44

Literature References

PubMed DOI Target Context # Activities
20118940 10.1038/nchembio.304 HeLa 2
20118940 10.1038/nchembio.304 MDA-MB-231 1
20118940 10.1038/nchembio.304 Jurkat 1

Data from ChEMBL 36 via Core Engine