Compound Detail
CHEMBL1651347
MACROCARPIN A Enter ChEMBL ID:
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COC(=O)[C@@]1(C)C[C@@H]2[C@@](C)(CC[C@]3(C)C4CC(=O)c5c(cc(O)c(O)c5C=O)[C@]4(C)CC[C@@]23C)CC1=O
Basic Information
| ChEMBL ID | CHEMBL1651347 |
| Name | MACROCARPIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDKFCMZNYZMXRF-QYOTWRPRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
510.6
MW (Da)
5.14
ALogP
7
HBA
2
HBD
118.0
PSA (Ų)
0.24
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 1700.0 | nM | 5.77 | Cytotoxicity against human HL60 cells after 48 hrs by MTT assay | 21090801 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21090801 | 10.1021/np100517u | HL-60 | 4 |
| 21090801 | 10.1021/np100517u | MCF7 | 4 |
Data from ChEMBL 36 via Core Engine