Drug Information

Drug ID:  NPD313
Drug Name:  Edrophonium
Molecular Formula:  C10H15NO
Canonical SMILES:  CC[N+](c1cccc(c1)O)(C)C
Standard InCHI:  InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1
Standard InCHIKey:  VWLHWLSRQJQWRG-UHFFFAOYSA-O
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD313

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 0.8509 NPC9336
Intermediate Similarity 0.8304 NPC256838
Intermediate Similarity 0.7778 NPC76327
Intermediate Similarity 0.7647 NPC255721
Intermediate Similarity 0.7565 NPC70201
Intermediate Similarity 0.7517 NPC469428
Intermediate Similarity 0.7438 NPC226914
Intermediate Similarity 0.7436 NPC311660
Intermediate Similarity 0.719 NPC44836
Intermediate Similarity 0.7086 NPC204867
Intermediate Similarity 0.7008 NPC222982
Remote Similarity 0.6986 NPC144691
Remote Similarity 0.6984 NPC264782
Remote Similarity 0.6975 NPC155847
Remote Similarity 0.6975 NPC289381
Remote Similarity 0.6959 NPC36168
Remote Similarity 0.695 NPC204156
Remote Similarity 0.6879 NPC469828
Remote Similarity 0.6815 NPC477185
Remote Similarity 0.6809 NPC166667
Remote Similarity 0.6792 NPC477187
Remote Similarity 0.6739 NPC314098
Remote Similarity 0.6732 NPC120798
Remote Similarity 0.673 NPC225857
Remote Similarity 0.6714 NPC184437
Remote Similarity 0.6713 NPC47986
Remote Similarity 0.6694 NPC29601
Remote Similarity 0.6691 NPC476689
Remote Similarity 0.6691 NPC476687
Remote Similarity 0.6691 NPC476685
Remote Similarity 0.6688 NPC79911
Remote Similarity 0.6622 NPC161292
Remote Similarity 0.6605 NPC298320
Remote Similarity 0.6589 NPC322735
Remote Similarity 0.6581 NPC199737
Remote Similarity 0.6569 NPC151489
Remote Similarity 0.6569 NPC250476
Remote Similarity 0.6558 NPC84508
Remote Similarity 0.6554 NPC146370
Remote Similarity 0.6552 NPC280853
Remote Similarity 0.6549 NPC317872
Remote Similarity 0.6543 NPC72980
Remote Similarity 0.6541 NPC321869
Remote Similarity 0.6538 NPC329190
Remote Similarity 0.6536 NPC315257
Remote Similarity 0.6531 NPC470394
Remote Similarity 0.6531 NPC470404
Remote Similarity 0.6531 NPC470403
Remote Similarity 0.6531 NPC260601
Remote Similarity 0.6519 NPC33507
Remote Similarity 0.6516 NPC25899
Remote Similarity 0.6507 NPC285016
Remote Similarity 0.6507 NPC245657
Remote Similarity 0.6497 NPC471178
Remote Similarity 0.6497 NPC70172
Remote Similarity 0.6497 NPC299582
Remote Similarity 0.6484 NPC329358
Remote Similarity 0.6483 NPC471596
Remote Similarity 0.6481 NPC96890
Remote Similarity 0.6474 NPC230942
Remote Similarity 0.6474 NPC315498
Remote Similarity 0.6463 NPC60553
Remote Similarity 0.6454 NPC313466
Remote Similarity 0.6452 NPC178902
Remote Similarity 0.645 NPC203628
Remote Similarity 0.6449 NPC318965
Remote Similarity 0.6447 NPC153769
Remote Similarity 0.6443 NPC470395
Remote Similarity 0.6442 NPC94174
Remote Similarity 0.6433 NPC473057
Remote Similarity 0.6429 NPC231705
Remote Similarity 0.6429 NPC477186
Remote Similarity 0.6408 NPC208757
Remote Similarity 0.6402 NPC39822
Remote Similarity 0.6398 NPC474409
Remote Similarity 0.6395 NPC476462
Remote Similarity 0.6383 NPC231382
Remote Similarity 0.6378 NPC142297
Remote Similarity 0.6376 NPC471598
Remote Similarity 0.6369 NPC471177
Remote Similarity 0.6369 NPC48192
Remote Similarity 0.6369 NPC59779
Remote Similarity 0.6369 NPC124542
Remote Similarity 0.6364 NPC91615
Remote Similarity 0.6358 NPC95898
Remote Similarity 0.6358 NPC257142
Remote Similarity 0.6341 NPC125732
Remote Similarity 0.634 NPC184161
Remote Similarity 0.6335 NPC112336
Remote Similarity 0.6335 NPC474814
Remote Similarity 0.632 NPC68055
Remote Similarity 0.6316 NPC15839
Remote Similarity 0.6316 NPC134825
Remote Similarity 0.6312 NPC226662
Remote Similarity 0.6306 NPC285635
Remote Similarity 0.6301 NPC303214
Remote Similarity 0.6296 NPC471294
Remote Similarity 0.6294 NPC33338
Remote Similarity 0.6294 NPC300020
Remote Similarity 0.6294 NPC302171
Remote Similarity 0.6294 NPC174421
Remote Similarity 0.6291 NPC220523
Remote Similarity 0.6284 NPC301702
Remote Similarity 0.6283 NPC307456
Remote Similarity 0.6282 NPC116573
Remote Similarity 0.6279 NPC258056
Remote Similarity 0.6276 NPC122542
Remote Similarity 0.6272 NPC46580
Remote Similarity 0.6269 NPC137096
Remote Similarity 0.6266 NPC191863
Remote Similarity 0.6266 NPC289776
Remote Similarity 0.6266 NPC133470
Remote Similarity 0.625 NPC253476
Remote Similarity 0.625 NPC108469
Remote Similarity 0.625 NPC37584
Remote Similarity 0.625 NPC94943
Remote Similarity 0.6242 NPC308197
Remote Similarity 0.6239 NPC100980
Remote Similarity 0.6235 NPC85482
Remote Similarity 0.6234 NPC284348
Remote Similarity 0.6234 NPC219383
Remote Similarity 0.6231 NPC474149
Remote Similarity 0.6228 NPC212535
Remote Similarity 0.6222 NPC85276
Remote Similarity 0.6221 NPC114039
Remote Similarity 0.6221 NPC206109
Remote Similarity 0.6216 NPC314113
Remote Similarity 0.6213 NPC314573
Remote Similarity 0.6213 NPC33902
Remote Similarity 0.6213 NPC276674
Remote Similarity 0.6207 NPC472193
Remote Similarity 0.6205 NPC70092
Remote Similarity 0.6202 NPC24101
Remote Similarity 0.6202 NPC96224
Remote Similarity 0.6199 NPC474059
Remote Similarity 0.6198 NPC476483
Remote Similarity 0.619 NPC474430
Remote Similarity 0.619 NPC190007
Remote Similarity 0.619 NPC62069
Remote Similarity 0.6188 NPC24954
Remote Similarity 0.6187 NPC315632
Remote Similarity 0.6187 NPC307020
Remote Similarity 0.6182 NPC127082
Remote Similarity 0.6174 NPC318935
Remote Similarity 0.6173 NPC471778
Remote Similarity 0.6165 NPC118202
Remote Similarity 0.616 NPC228400
Remote Similarity 0.616 NPC326792
Remote Similarity 0.616 NPC214200
Remote Similarity 0.6154 NPC63562
Remote Similarity 0.6154 NPC172046
Remote Similarity 0.6149 NPC219233
Remote Similarity 0.6149 NPC471594
Remote Similarity 0.6149 NPC211468
Remote Similarity 0.6149 NPC170170
Remote Similarity 0.6145 NPC474815
Remote Similarity 0.6143 NPC325013
Remote Similarity 0.614 NPC110741
Remote Similarity 0.6139 NPC291359
Remote Similarity 0.6133 NPC168750
Remote Similarity 0.6127 NPC8305
Remote Similarity 0.6127 NPC212125
Remote Similarity 0.6127 NPC268763
Remote Similarity 0.6127 NPC66177
Remote Similarity 0.6125 NPC292143
Remote Similarity 0.6125 NPC313757
Remote Similarity 0.6125 NPC139506
Remote Similarity 0.6124 NPC20322
Remote Similarity 0.6124 NPC232600
Remote Similarity 0.6122 NPC126637
Remote Similarity 0.6119 NPC317254
Remote Similarity 0.6119 NPC213
Remote Similarity 0.6119 NPC10286
Remote Similarity 0.6118 NPC171171
Remote Similarity 0.6118 NPC185838
Remote Similarity 0.6118 NPC150308
Remote Similarity 0.6111 NPC1527
Remote Similarity 0.6111 NPC291610
Remote Similarity 0.6108 NPC166169
Remote Similarity 0.6107 NPC43477
Remote Similarity 0.6107 NPC323123
Remote Similarity 0.6105 NPC5630
Remote Similarity 0.6099 NPC476249
Remote Similarity 0.6098 NPC73280
Remote Similarity 0.6098 NPC259545
Remote Similarity 0.6095 NPC302235
Remote Similarity 0.609 NPC26872
Remote Similarity 0.6084 NPC283152
Remote Similarity 0.6081 NPC476475
Remote Similarity 0.608 NPC75496
Remote Similarity 0.6078 NPC315829
Remote Similarity 0.6077 NPC153690
Remote Similarity 0.6076 NPC269919
Remote Similarity 0.6076 NPC132680
Remote Similarity 0.6069 NPC470483
Remote Similarity 0.6068 NPC229477
Remote Similarity 0.6062 NPC177404
Remote Similarity 0.6062 NPC315214
Remote Similarity 0.6062 NPC47298
Remote Similarity 0.6062 NPC85651

Drug Structure

External Identifiers

TTD   DAP000562
DrugBank   DB01010
ChEMBL   CHEMBL1104
IUPHAR/BPS   9073
PharmaGKB   PA449437
KEGG Drug  
PubChem CID   3202
ChEBI   251408
CAS Number  

Drug Properties

Molecular Weight  166.12
ALogP  -1.3469
MLogP  2.34
XLogP  1.664
HDA  0
HBD  1
Rotatable Bonds  6
TPSA  20.23
RO5 Violation  0