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Compound Detail

CHEMBL469501

YADANZIOLIDE C
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CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(C)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@@H]45
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL469501
Name YADANZIOLIDE C
Phase Preclinical
Structure Type MOL
InChI Key KDVYRSSTPWSAJC-GGUABDNCSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

394.4
MW (Da)
-1.07
ALogP
8
HBA
4
HBD
133.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H26O8
MW 394.42
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 4.03

Activity Summary

EC50 1 meas. best 5.0
IC50 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HL-60
CHEMBL383
 IC50 5.82 5.82 1500.0 1
HL-60
CHEMBL383
 EC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HL-60 IC50 = 1500.0 nM 5.82 Antiproliferative activity against human HL60 cells assessed as inhibition of [3... 11754601
HL-60 EC50 = 10000.0 nM 5.0 Induction of cell differentiation in human HL60 cells assessed as superoxide ani... 11754601

Literature References

PubMed DOI Target Context # Activities
11754601 10.1021/np010212p HL-60 4
9644063 10.1021/np980023f P388 1

Data from ChEMBL 36 via Core Engine