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Compound Detail

CHEMBL500120

CYTOCHALASIN K
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CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)O/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]3[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL500120
Name CYTOCHALASIN K
Phase Preclinical
Structure Type MOL
InChI Key WDDZJZXADGVZLS-LDTGXJKGSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

495.6
MW (Da)
2.99
ALogP
7
HBA
3
HBD
122.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C28H33NO7
MW 495.57
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness 2.59

Activity Summary

IC50 2 meas. best 5.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
A549
CHEMBL392
 IC50 5.08 5.08 8400.0 1
P388
CHEMBL389
 IC50 4.05 4.05 89000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
A549 IC50 = 8400.0 nM 5.08 Cytotoxicity against human A549 cells after 72 hrs by MTT method 16792402
P388 IC50 = 89000.0 nM 4.05 Cytotoxicity against mouse P388 cells after 72 hrs by MTT method 16792402

Literature References

PubMed DOI Target Context # Activities
16792402 10.1021/np050201m P388 1
16792402 10.1021/np050201m A549 1

Data from ChEMBL 36 via Core Engine