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Compound Detail

CHEMBL472313

CYTOCHALASIN Z11
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C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@@]2(O)[C@@H](/C=C/C[C@H](C)C(=O)[C@H](C)O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL472313
Name CYTOCHALASIN Z11
Phase Preclinical
Structure Type MOL
InChI Key XKLGDBFKKUIZTH-UPQYTXQESA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
1.79
ALogP
5
HBA
4
HBD
106.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C25H33NO5
MW 427.54
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 2.34

Activity Summary

IC50 3 meas. best 5.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
A549
CHEMBL392
 IC50 5.37 5.37 4300.0 1
HL-60
CHEMBL383
 IC50 4.35 4.35 45000.0 1
P388
CHEMBL389
 IC50 4.16 4.16 69000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
A549 IC50 = 4300.0 nM 5.37 Cytotoxicity against human A549 cells after 72 hrs by MTT assay 18507474
HL-60 IC50 = 45000.0 nM 4.35 Cytotoxicity against human HL60 cells after 72 hrs by MTT assay 18507474
P388 IC50 = 69000.0 nM 4.16 Cytotoxicity against mouse P388 cells after 72 hrs by MTT assay 18507474

Literature References

PubMed DOI Target Context # Activities
18507474 10.1021/np070539b P388 1
18507474 10.1021/np070539b A549 1
18507474 10.1021/np070539b HL-60 1
18507474 10.1021/np070539b Bel-7402 1

Data from ChEMBL 36 via Core Engine