Compound Detail
CHEMBL605525
DP001 🧪 Phase II
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🧪 Phase II
C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL605525 |
| Name | DP001 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | UHMPCVGLSKFXHR-NAQZCRMNSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
15
Publications
2
Known Names
3
Indications
1
Mechanisms
Molecular Properties
416.6
MW (Da)
5.70
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.49
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Vitamin D receptor agonist | AGONIST | Vitamin D3 receptor | ✓ | ✓ |
Indications
Hyperparathyroidism, Secondary Osteoporosis Osteoporosis, Postmenopausal
Activity Summary
Ki 4 meas. best 10.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | Ki | 10.1 | 10.1 | 0.1 | 1 |
| Vitamin D3 receptor CHEMBL3150 | Ki | 10.0 | 10.0 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | Ki | = | 0.08 | nM | 10.1 | Induction of differentiation of human HL60 cells promyelocytes to monocytes afte... | 21105677 |
| Vitamin D3 receptor | Ki | = | 0.1 | nM | 10.0 | Displacement of [3H]1alpha,25-(OH)2D3 from rat recombinant full length VDR | 21105677 |
| Vitamin D3 receptor | Ki | = | 0.1 | nM | 10.0 | Displacement of [3H]-1alpha,25(OH)2D3 from recombinant rat VDR after overnight i... | 22490010 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19819702 | 10.1016/j.bmc.2009.09.047 | Rattus norvegicus | 6 |
| 9804706 | 10.1021/jm9802618 | Rattus norvegicus | 4 |
| 21105677 | 10.1021/jm1010447 | Vitamin D3 receptor | 4 |
| 22490010 | 10.1021/jm300187x | Vitamin D3 receptor | 4 |
| 16480267 | 10.1021/jm050795q | Vitamin D3 receptor | 3 |
| 32510210 | 10.1021/acs.jmedchem.0c00580 | Vitamin D3 receptor | 3 |
| 9804706 | 10.1021/jm9802618 | Vitamin D3 receptor | 2 |
| 9804706 | 10.1021/jm9802618 | HL-60 | 2 |
| 21105677 | 10.1021/jm1010447 | HL-60 | 2 |
| 22490010 | 10.1021/jm300187x | HL-60 | 2 |
| 25221942 | 10.1021/jm500750b | Vitamin D3 receptor | 2 |
| 26574921 | 10.1021/acs.jmedchem.5b01295 | Vitamin D3 receptor | 2 |
| 21105677 | 10.1021/jm1010447 | Rattus norvegicus | 1 |
| 25221942 | 10.1021/jm500750b | HL-60 | 1 |
| 26574921 | 10.1021/acs.jmedchem.5b01295 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine