Compound Detail
CHEMBL52606
COLFORSIN 🧪 Phase II
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🧪 Phase II
C=C[C@@]1(C)CC(=O)[C@]2(O)[C@@]3(C)[C@@H](O)CCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@@]2(C)O1
Basic Information
| ChEMBL ID | CHEMBL52606 |
| Name | COLFORSIN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | OHCQJHSOBUTRHG-KGGHGJDLSA-N |
15
Targets
22
Activities
4
Assay Types
0
PK Parameters
20
Publications
12
Known Names
Molecular Properties
410.5
MW (Da)
1.52
ALogP
7
HBA
3
HBD
113.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
EC50 13 meas. best 7.33
IC50 6 meas. best 7.39
Kd 2 meas. best 7.54
Ki 1 meas. best 7.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenylate cyclase type 1 CHEMBL3549 | Kd | 7.54 | 7.54 | 29.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.53 | 7.53 | 29.4 | 1 |
| Adenylate cyclase type 1 CHEMBL2899 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| Relaxin receptor 1 CHEMBL1293316 | EC50 | 7.33 | 7.33 | 47.0 | 1 |
| Adenylate cyclase type 8 CHEMBL2960 | EC50 | 7.03 | 7.03 | 93.7 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 6.62 | 6.62 | 240.0 | 1 |
| Homo sapiens CHEMBL372 | EC50 | 6.62 | 6.62 | 240.0 | 2 |
| Adenylate cyclase type 1 CHEMBL2899 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 6.16 | 5.42 | 700.0 | 4 |
| Nuclear receptor subfamily 0 group B member 1 CHEMBL1795094 | IC50 | 5.76 | 5.76 | 1729.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.37 | 5.37 | 4300.0 | 1 |
| Solute carrier family 2, facilitated glucose transporter member 1 CHEMBL2535 | Kd | 5.3 | 5.3 | 5000.0 | 1 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL2146315 | EC50 | 5.15 | 5.15 | 7100.0 | 1 |
| SARS-CoV CHEMBL4303836 | EC50 | 5.12 | 5.12 | 7500.0 | 1 |
| Sodium channel alpha subunits; brain (Types I, II, III) CHEMBL2096682 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.2 | 4.2 | 63300.0 | 1 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 4.1 | 4.1 | 80200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20966043 | 10.1124/dmd.110.035105 | Nuclear receptor subfamily 1 group I member 2 | 9 |
| 19281221 | 10.1021/np800541k | Skin | 8 |
| 2849641 | 10.1021/np50059a019 | Unchecked | 6 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 6 |
| 17663539 | 10.1021/jm070295s | SARS-CoV | 5 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 4 |
| 19966789 | 10.1038/nchembio.275 | Histone deacetylase 7 | 4 |
| 12951096 | 10.1016/s0960-894x(03)00669-3 | ADMET | 4 |
| 8709105 | 10.1021/jm960191+ | Adenylate cyclase type 1 | 4 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 3 |
| 11716514 | 10.1006/bbrc.2001.6000 | ATP-dependent translocase ABCB1 | 3 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 2 |
| 31776060 | 10.1016/j.bmcl.2019.126823 | Adenylate cyclase type 8 | 2 |
| 2579237 | 10.1021/jm00381a019 | Sodium channel alpha subunits; brain (Types I, II, III) | 2 |
| 28838692 | 10.1016/j.bmcl.2017.08.033 | MCF7 | 2 |
| 30481687 | 10.1016/j.ejmech.2018.10.006 | Aquaporin-2 | 2 |
| 10406641 | 10.1016/s0960-894x(99)00270-x | Homo sapiens | 2 |
| 28448136 | 10.1021/acs.jnatprod.6b01086 | Peroxisome proliferator-activated receptor gamma coactivator 1-alpha | 2 |
| 11462981 | 10.1021/jm001059j | 5-hydroxytryptamine receptor 1A | 2 |
Data from ChEMBL 36 via Core Engine