Compound Detail
CHEMBL260287
CYTOCHALASIN D Enter ChEMBL ID:
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C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23[C@H](OC(C)=O)/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]3[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL260287 |
| Name | CYTOCHALASIN D |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDZRWUKZFQQKKV-JHADDHBZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
2.92
ALogP
6
HBA
3
HBD
112.9
PSA (Ų)
0.43
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.63
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MRC5 | IC50 | = | 2360.0 | nM | 5.63 | Cytotoxicity against human MRC5 cells assessed as inhibition of cell growth incu... | 38283219 |
| Unchecked | IC50 | = | 13710.0 | nM | 4.86 | Cytotoxicity against human BLM cells assessed as inhibition of cell growth incub... | 38283219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17875991 | 10.1128/aac.00373-07 | Balamuthia mandrillaris | 5 |
| 18024584 | 10.1073/pnas.0709695104 | H4 | 4 |
| 38283219 | 10.1039/d3md00535f | Unchecked | 4 |
| 31648874 | 10.1016/j.bmc.2019.115145 | Bone marrow cell | 3 |
| 31648874 | 10.1016/j.bmc.2019.115145 | Dendritic cell | 3 |
| 18603435 | 10.1016/j.bmc.2008.06.032 | Unchecked | 1 |
| 19015352 | 10.1128/aac.01095-08 | ATP binding cassette transporter Abc1p | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 1 |
| 30093346 | 10.1016/j.bmc.2018.07.013 | Toll-like receptor 1/2 | 1 |
| 31648874 | 10.1016/j.bmc.2019.115145 | Unchecked | 1 |
| 31648874 | 10.1016/j.bmc.2019.115145 | Ramos | 1 |
| 31648874 | 10.1016/j.bmc.2019.115145 | Jurkat | 1 |
| 31879179 | 10.1016/j.bmc.2019.115248 | SW-620 | 1 |
| 38283219 | 10.1039/d3md00535f | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine