Drug Information

Drug ID:  NPD9132
Drug Name:  H3 agonists, Gliatech
Molecular Formula:  C6H9N3
Canonical SMILES:  N[C@@H]1C[C@H]1c1cnc[nH]1
Standard InCHI:  InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5-/m1/s1
Standard InCHIKey:  OWWNABDDYQLERE-RFZPGFLSSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9132

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 0.8962 NPC111132
High Similarity 0.8796 NPC155498
Intermediate Similarity 0.8347 NPC180462
Intermediate Similarity 0.8261 NPC327613
Intermediate Similarity 0.8257 NPC326248
Intermediate Similarity 0.8257 NPC187191
Intermediate Similarity 0.8131 NPC9639
Intermediate Similarity 0.7769 NPC18223
Intermediate Similarity 0.7769 NPC237812
Intermediate Similarity 0.7656 NPC25465
Intermediate Similarity 0.7656 NPC235501
Intermediate Similarity 0.7594 NPC286696
Intermediate Similarity 0.7594 NPC185903
Intermediate Similarity 0.7391 NPC273327
Intermediate Similarity 0.7319 NPC327477
Intermediate Similarity 0.7218 NPC126634
Intermediate Similarity 0.7188 NPC15566
Intermediate Similarity 0.7014 NPC282531
Intermediate Similarity 0.7007 NPC210947
Intermediate Similarity 0.7 NPC174020
Remote Similarity 0.6918 NPC60537
Remote Similarity 0.6772 NPC68938
Remote Similarity 0.6741 NPC470138
Remote Similarity 0.6729 NPC237936
Remote Similarity 0.6667 NPC470140
Remote Similarity 0.6597 NPC197068
Remote Similarity 0.6544 NPC243319
Remote Similarity 0.6525 NPC470139
Remote Similarity 0.6389 NPC8590
Remote Similarity 0.6356 NPC51000
Remote Similarity 0.6258 NPC300238
Remote Similarity 0.6196 NPC477119
Remote Similarity 0.6174 NPC190949
Remote Similarity 0.616 NPC476099
Remote Similarity 0.6098 NPC293163
Remote Similarity 0.6047 NPC313504
Remote Similarity 0.6032 NPC18335
Remote Similarity 0.6031 NPC313547
Remote Similarity 0.6027 NPC216159
Remote Similarity 0.5976 NPC477118
Remote Similarity 0.5952 NPC59314
Remote Similarity 0.5941 NPC477120
Remote Similarity 0.5844 NPC114209
Remote Similarity 0.5813 NPC470204
Remote Similarity 0.5789 NPC42483
Remote Similarity 0.5776 NPC470203
Remote Similarity 0.5764 NPC57279
Remote Similarity 0.5714 NPC277608
Remote Similarity 0.5714 NPC470141
Remote Similarity 0.5682 NPC312187
Remote Similarity 0.5682 NPC4837
Remote Similarity 0.5682 NPC201900
Remote Similarity 0.5678 NPC76536
Remote Similarity 0.563 NPC148385
Remote Similarity 0.563 NPC63433
Remote Similarity 0.5617 NPC122141
Remote Similarity 0.5612 NPC470142

Drug Structure

External Identifiers

TTD   DIB011815
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  123.08
ALogP  -1.2712
MLogP  1.79
XLogP  -0.394
HDA  3
HBD  2
Rotatable Bonds  2
TPSA  54.7
RO5 Violation  0