Compound Detail
CHEMBL136186
TRICHOVERRIN B Enter ChEMBL ID:
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CC1=C[C@H]2OC3C[C@@H](OC(=O)/C=C\C=C\[C@H](O)[C@@H](C)O)[C@](C)([C@@]2(COC(=O)/C=C(\C)CCO)CC1)[C@]31CO1
Basic Information
| ChEMBL ID | CHEMBL136186 |
| Name | TRICHOVERRIN B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYKUAMFXVHJZSH-ICRNBLEMSA-N |
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
532.6
MW (Da)
2.30
ALogP
9
HBA
3
HBD
135.1
PSA (Ų)
0.13
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H522 CHEMBL614387 | IC50 | 6.04 | 6.04 | 904.0 | 1 |
| COLO 205 CHEMBL614561 | IC50 | 5.4 | 5.4 | 4020.0 | 1 |
| MDA-MB-435 CHEMBL614697 | IC50 | 5.26 | 5.26 | 5490.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.21 | 5.21 | 6210.0 | 1 |
| NCI-H226 CHEMBL614740 | IC50 | 5.16 | 5.16 | 6930.0 | 1 |
| M14 CHEMBL614317 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
| A498 CHEMBL614516 | IC50 | 5.09 | 5.09 | 8160.0 | 1 |
| SK-MEL-2 CHEMBL614917 | IC50 | 5.05 | 5.05 | 8910.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H522 | IC50 | = | 904.0 | nM | 6.04 | In vitro antitumor activity against NSCL NCI-H522 tumor cell lines | 13678412 |
| COLO 205 | IC50 | = | 4020.0 | nM | 5.4 | In vitro antitumor activity against colon COLO 205 tumor cell lines | 13678412 |
| MDA-MB-435 | IC50 | = | 5490.0 | nM | 5.26 | In vitro antitumor activity against breast MDA-MB-435 tumor cell lines | 13678412 |
| A549 | IC50 | = | 6210.0 | nM | 5.21 | In vitro antitumor activity against NSCL A549/ATCC tumor cell lines | 13678412 |
| NCI-H226 | IC50 | = | 6930.0 | nM | 5.16 | In vitro antitumor activity against NSCL NCI-H226 tumor cell lines | 13678412 |
| M14 | IC50 | = | 7100.0 | nM | 5.15 | In vitro antitumor activity against melanoma M14 tumor cell lines | 13678412 |
| A498 | IC50 | = | 8160.0 | nM | 5.09 | In vitro antitumor activity against renal A498 tumor cell lines | 13678412 |
| SK-MEL-2 | IC50 | = | 8910.0 | nM | 5.05 | In vitro antitumor activity against melanoma SK-MEL-2 tumor cell lines | 13678412 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 13678412 | 10.1021/jm030090t | NON-PROTEIN TARGET | 2 |
| 13678412 | 10.1021/jm030090t | MC-38 | 2 |
| 13678412 | 10.1021/jm030090t | MDA-N | 1 |
| 13678412 | 10.1021/jm030090t | Unchecked | 1 |
| 13678412 | 10.1021/jm030090t | RXF 393 | 1 |
| 13678412 | 10.1021/jm030090t | A498 | 1 |
| 13678412 | 10.1021/jm030090t | 786-0 | 1 |
| 13678412 | 10.1021/jm030090t | UACC-62 | 1 |
| 13678412 | 10.1021/jm030090t | SK-MEL-2 | 1 |
| 13678412 | 10.1021/jm030090t | M14 | 1 |
| 13678412 | 10.1021/jm030090t | HCT-15 | 1 |
| 13678412 | 10.1021/jm030090t | HCT-116 | 1 |
| 13678412 | 10.1021/jm030090t | COLO 205 | 1 |
| 13678412 | 10.1021/jm030090t | NCI-H522 | 1 |
| 13678412 | 10.1021/jm030090t | NCI-H226 | 1 |
| 13678412 | 10.1021/jm030090t | A549 | 1 |
| 13678412 | 10.1021/jm030090t | MOLT-4 | 1 |
| 13678412 | 10.1021/jm030090t | HL-60 | 1 |
| 13678412 | 10.1021/jm030090t | CCRF-CEM | 1 |
| 13678412 | 10.1021/jm030090t | NCI-H125 | 1 |
Data from ChEMBL 36 via Core Engine