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Compound Detail

CHEMBL582439

ZAMPANOLIDE
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C=C1C[C@@H]2C/C=C/C(=O)C/C(C)=C\C=C\C(=O)O[C@H]([C@H](O)NC(=O)/C=C\C=C\C)C/C(C)=C/[C@H](C1)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL582439
Name ZAMPANOLIDE
Phase Preclinical
Structure Type MOL
InChI Key NJZJMJVVSZTAGX-UFYKQBJPSA-N
6
Targets
9
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

495.6
MW (Da)
4.33
ALogP
6
HBA
2
HBD
101.9
PSA (Ų)
0.20
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C29H37NO6
MW 495.62
Aromatic Rings 0
Heavy Atoms 36
NP-Likeness 2.28

Activity Summary

IC50 9 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SKM-1
CHEMBL2366085
 IC50 8.96 8.96 1.1 2
U-937
CHEMBL612794
 IC50 8.96 8.75 1.1 2
HL-60
CHEMBL383
 IC50 8.49 8.43 3.2 2
A2780
CHEMBL614004
 IC50 8.15 8.15 7.1 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 8.12 8.12 7.5 1
1A9
CHEMBL614075
 IC50 7.84 7.84 14.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
U-937 IC50 = 1.1 nM 8.96 Cytotoxicity against human U937 cells incubated for 48 hrs by SRB assay 29223097
SKM-1 IC50 = 1.1 nM 8.96 Cytotoxicity against human SKM1 cells incubated for 48 hrs by SRB assay 29223097
SKM-1 IC50 = 1.1 nM 8.96 Antiproliferative activity against human SKM1 cells assessed as reduction in cel... 30953881
U-937 IC50 = 2.9 nM 8.54 Antiproliferative activity against human U937 cells assessed as reduction in cel... 30953881
HL-60 IC50 = 3.2 nM 8.49 Antiproliferative activity against human HL60 cells after 72 hrs by MTT assay 30371079
HL-60 IC50 = 4.3 nM 8.37 Cytotoxicity against human HL60 cells after 48 hrs by MTT assay 19877653
A2780 IC50 = 7.1 nM 8.15 Cytotoxicity against human A2780 cells by MTT cell proliferation assay 19877653
NON-PROTEIN TARGET IC50 = 7.5 nM 8.12 Cytotoxicity against p-glycoprotein overexpressing human A2780AD cells by MTT ce... 19877653
1A9 IC50 = 14.3 nM 7.84 Cytotoxicity against human 1A9 cells after 72 hrs by MTT assay 19877653

Literature References

PubMed DOI Target Context # Activities
29023132 10.1021/acs.jnatprod.7b00704 Unchecked 14
19877653 10.1021/jm901249g 1A9 9
19877653 10.1021/jm901249g HL-60 8
30371079 10.1021/acs.jnatprod.8b00641 HL-60 4
31191870 10.1039/C9MD00164F Tubulin 3
19877653 10.1021/jm901249g A2780 2
19877653 10.1021/jm901249g Tubulin 2
29223097 10.1016/j.ejmech.2017.11.062 SKM-1 1
30953881 10.1016/j.ejmech.2019.03.025 Unchecked 1
30371079 10.1021/acs.jnatprod.8b00641 Unchecked 1
29431439 10.1021/acs.jnatprod.7b00964 P388 1
29431439 10.1021/acs.jnatprod.7b00964 A549 1
29431439 10.1021/acs.jnatprod.7b00964 HT-29 1
29431439 10.1021/acs.jnatprod.7b00964 Unchecked 1
29223097 10.1016/j.ejmech.2017.11.062 U-937 1
23792764 10.1016/j.ejmech.2013.05.035 HT-29 1
23792764 10.1016/j.ejmech.2013.05.035 A549 1
23792764 10.1016/j.ejmech.2013.05.035 P388 1
23792764 10.1016/j.ejmech.2013.05.035 NON-PROTEIN TARGET 1
19877653 10.1021/jm901249g NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine