Drug Information

Drug ID:  NPD1821
Drug Name:  Sparteine Sulfate
Molecular Formula:  C15H26N2.H2O4S.5H2O
Canonical SMILES:  C1CC[C@@H]2N(C1)C[C@H]1C[C@@H]2CN2[C@@H]1CCCC2.OS(=O)(=O)O.O.O.O.O.O
Standard InCHI:  InChI=1S/C15H26N2.H2O4S.5H2O/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;1-5(2,3)4;;;;;/h12-15H,1-11H2;(H2,1,2,3,4);5*1H2/t12-,13-,14-,15+;;;;;;/m1....../s1
Standard InCHIKey:  WNSDDGBLIALDPB-HTZKOJAYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1821

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 1.0 NPC228980
High Similarity 1.0 NPC243635
High Similarity 1.0 NPC151004
Intermediate Similarity 0.75 NPC290231
Intermediate Similarity 0.75 NPC266383
Intermediate Similarity 0.75 NPC48448
Intermediate Similarity 0.75 NPC180401
Intermediate Similarity 0.75 NPC206241
Intermediate Similarity 0.75 NPC271803
Intermediate Similarity 0.75 NPC68043
Intermediate Similarity 0.7059 NPC17770
Remote Similarity 0.6957 NPC80447
Remote Similarity 0.6618 NPC127553
Remote Similarity 0.6618 NPC255050
Remote Similarity 0.6301 NPC308050
Remote Similarity 0.625 NPC112398
Remote Similarity 0.6234 NPC124359
Remote Similarity 0.6234 NPC153734
Remote Similarity 0.6207 NPC201713
Remote Similarity 0.619 NPC231129
Remote Similarity 0.6133 NPC120699
Remote Similarity 0.6133 NPC127430
Remote Similarity 0.6133 NPC268580
Remote Similarity 0.6094 NPC82919
Remote Similarity 0.6 NPC39308
Remote Similarity 0.5926 NPC168017
Remote Similarity 0.5921 NPC90839
Remote Similarity 0.5897 NPC255430
Remote Similarity 0.5849 NPC471440
Remote Similarity 0.5849 NPC471575
Remote Similarity 0.5783 NPC178632
Remote Similarity 0.5769 NPC31313
Remote Similarity 0.5769 NPC149908
Remote Similarity 0.5769 NPC45906
Remote Similarity 0.5769 NPC288415
Remote Similarity 0.5763 NPC153803
Remote Similarity 0.575 NPC143344
Remote Similarity 0.575 NPC135639
Remote Similarity 0.575 NPC234822
Remote Similarity 0.575 NPC78058
Remote Similarity 0.575 NPC61321
Remote Similarity 0.575 NPC207048
Remote Similarity 0.5696 NPC93630
Remote Similarity 0.5606 NPC21781

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  234.21
ALogP  -2.3058
MLogP  2.89
XLogP  2.12
HDA  2
HBD  0
Rotatable Bonds  0
TPSA  6.48
RO5 Violation  0