Drug Details
| General Information of the Drug (ID: DR5916) | ||||
|---|---|---|---|---|
| Name |
Centchroman
|
|||
| Synonyms |
Cellulose sulfate gel, Polydex
Click to Show/Hide
|
|||
| Molecular Type |
Small molecule
|
|||
| Disease | Bacterial infection [ICD-11: 1A00-1C4Z] | Phase 3 | [1] | |
| Structure |
|
Click to Download Mol2D MOL |
||
| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | ||||
| Formula |
C30H35NO3
|
|||
| PubChem CID | ||||
| Canonical SMILES |
CC1(C(C(C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCCN4CCCC4)C5=CC=CC=C5)C
|
|||
| InChI |
1S/C30H35NO3/c1-30(2)29(23-9-5-4-6-10-23)28(26-16-15-25(32-3)21-27(26)34-30)22-11-13-24(14-12-22)33-20-19-31-17-7-8-18-31/h4-6,9-16,21,28-29H,7-8,17-20H2,1-3H3/t28-,29+/m0/s1
|
|||
| InChIKey |
XZEUAXYWNKYKPL-URLMMPGGSA-N
|
|||
| CAS Number |
CAS 31477-60-8
|
|||
| TTD Drug ID | ||||
| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
|---|---|---|---|---|---|---|
| α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug | ||||||
| Genistein | Glycine max | Click to Show/Hide the Molecular Data of This NP | ||||
| Augmenting Drug Sensitivity | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [2] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
|
|||||
| Molecule(s)
Regulation |
Down-regulation | Phosphorylation | AKT1 | Molecule Info |
Pathway MAP
|
|
| Up-regulation | Expression | BAX | Molecule Info |
Pathway MAP
|
||
| Up-regulation | Activity | CASP7 | Molecule Info |
Pathway MAP
|
||
| Up-regulation | Activity | CASP9 | Molecule Info |
Pathway MAP
|
||
| Down-regulation | Expression | CCNB1 | Molecule Info |
Pathway MAP
|
||
| Down-regulation | Expression | p105 | Molecule Info |
Pathway MAP
|
||
| Up-regulation | Activity | PARP1 | Molecule Info |
Pathway MAP
|
||
| Up-regulation | Expression | PD-2 | Molecule Info | |||
| Down-regulation | Expression | PIK3CB | Molecule Info |
Pathway MAP
|
||
| Biological
Regulation |
Up-regulation | Cytochrome c release | ||||
| In-vitro Model | MCF-7 | CVCL_0031 | Invasive breast carcinoma | Homo sapiens | ||
| MDA-MB-231 | CVCL_0062 | Breast adenocarcinoma | Homo sapiens | |||
| MCF-10A | CVCL_0598 | Healthy | Homo sapiens | |||
| 4T1 | CVCL_0125 | Malignant neoplasms | Mus musculus | |||
| In-vivo Model | 4T1 (7*105) cells were injected onto the left mammary fat pad of adult female BALB/c mice. | |||||
| Experimental
Result(s) |
Genistein potentiates Centchroman induced antineoplasticity in breast cancer via PI3K/Akt deactivation and ROS dependent induction of apoptosis. | |||||
| Target and Pathway | ||||
|---|---|---|---|---|
| Target(s) | HIV Transmission (HIV Tran) | Molecule Info | [3] | |
