DrugDevCovid19

Tracking the relevant researches of CADD drug development against COVID-19

19-Nortestosterone

ID	MW	HBD	HBA
9904	274.4	1	2

RB	NOA	Rings	logP
1	2	4	2.62

Function

DrugBank ID:

DB13169

Description:

Nandrolone, also known as 19-nortestosterone or 19-norandrostenolone, is a synthetic anabolic-androgenic steroid (AAS) derived from testosterone. [DrugBank]

Targets:

Not Available [DrugBank]

Pharmacodynamics:

Not Available [DrugBank]

Structures

SMILES:

C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O

2D structures:

3D structures:

Docking in target protein

Receptor: Mpro

Docking Site: Catalytic pocket

Ligand: 19-Nortestosterone

Vina score: -6.7

Off-target analysis based on ligand similarity (Homo sapiens)

Step 1 - Target prediction for 19-Nortestosterone: SwissTargetPrediction

Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of 19-Nortestosterone in the SMILES input box.

Step 2 - Blind docking for 19-Nortestosterone: CB-Dock

Tips: Click on the link to jump to the 'CB-Dock' webserver. Upload the structure file of target predicted by 'SwissTargetPrediction' and the 2D/3D structure file of 19-Nortestosterone to perform blind docking.