Drug Information

Drug ID:  NPD5310
Drug Name:  Dopexamine Hydrochloride
Molecular Formula:  C22H32N2O2.ClH
Canonical SMILES:  Oc1cc(CCNCCCCCCNCCc2ccccc2)ccc1O.Cl
Standard InCHI:  InChI=1S/C22H32N2O2.ClH/c25-21-11-10-20(18-22(21)26)13-17-24-15-7-2-1-6-14-23-16-12-19-8-4-3-5-9-19;/h3-5,8-11,18,23-26H,1-2,6-7,12-17H2;1H
Standard InCHIKey:  CJECLYLIFZQBMA-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD5310

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 0.9262 NPC318965
High Similarity 0.9237 NPC85276
High Similarity 0.904 NPC271808
High Similarity 0.8889 NPC146422
High Similarity 0.8712 NPC219233
High Similarity 0.8712 NPC211468
High Similarity 0.8712 NPC170170
High Similarity 0.8647 NPC323123
High Similarity 0.8583 NPC236347
High Similarity 0.8583 NPC323775
High Similarity 0.8537 NPC268572
High Similarity 0.8525 NPC283468
Intermediate Similarity 0.8455 NPC122009
Intermediate Similarity 0.8397 NPC302171
Intermediate Similarity 0.8397 NPC33338
Intermediate Similarity 0.8397 NPC300020
Intermediate Similarity 0.832 NPC115627
Intermediate Similarity 0.832 NPC169207
Intermediate Similarity 0.832 NPC118522
Intermediate Similarity 0.8279 NPC142599
Intermediate Similarity 0.812 NPC68055
Intermediate Similarity 0.811 NPC284078
Intermediate Similarity 0.808 NPC137096
Intermediate Similarity 0.8062 NPC13020
Intermediate Similarity 0.8062 NPC140359
Intermediate Similarity 0.7986 NPC76213
Intermediate Similarity 0.7986 NPC277669
Intermediate Similarity 0.7984 NPC298486
Intermediate Similarity 0.7966 NPC196479
Intermediate Similarity 0.7926 NPC267237
Intermediate Similarity 0.7923 NPC318777
Intermediate Similarity 0.7914 NPC323204
Intermediate Similarity 0.7899 NPC471511
Intermediate Similarity 0.7877 NPC477564
Intermediate Similarity 0.7877 NPC2295
Intermediate Similarity 0.7869 NPC55617
Intermediate Similarity 0.7869 NPC62258
Intermediate Similarity 0.7869 NPC228343
Intermediate Similarity 0.7869 NPC254833
Intermediate Similarity 0.7863 NPC125732
Intermediate Similarity 0.7852 NPC214869
Intermediate Similarity 0.7847 NPC207824
Intermediate Similarity 0.7847 NPC60538
Intermediate Similarity 0.7833 NPC239291
Intermediate Similarity 0.782 NPC251571
Intermediate Similarity 0.782 NPC16031
Intermediate Similarity 0.782 NPC161593
Intermediate Similarity 0.782 NPC145888
Intermediate Similarity 0.7805 NPC120982
Intermediate Similarity 0.7805 NPC147634
Intermediate Similarity 0.7805 NPC226401
Intermediate Similarity 0.7805 NPC79793
Intermediate Similarity 0.7805 NPC174096
Intermediate Similarity 0.7797 NPC223393
Intermediate Similarity 0.7787 NPC96224
Intermediate Similarity 0.7787 NPC24101
Intermediate Similarity 0.7778 NPC114102
Intermediate Similarity 0.7778 NPC109955
Intermediate Similarity 0.7778 NPC10286
Intermediate Similarity 0.7778 NPC213
Intermediate Similarity 0.7761 NPC155838
Intermediate Similarity 0.7752 NPC252817
Intermediate Similarity 0.7746 NPC294249
Intermediate Similarity 0.7742 NPC297657
Intermediate Similarity 0.7742 NPC179002
Intermediate Similarity 0.7742 NPC187583
Intermediate Similarity 0.7742 NPC257430
Intermediate Similarity 0.7721 NPC149379
Intermediate Similarity 0.7704 NPC195749
Intermediate Similarity 0.7704 NPC52029
Intermediate Similarity 0.7704 NPC35961
Intermediate Similarity 0.7698 NPC214988
Intermediate Similarity 0.7687 NPC153990
Intermediate Similarity 0.7681 NPC6913
Intermediate Similarity 0.7674 NPC283760
Intermediate Similarity 0.7647 NPC155847
Intermediate Similarity 0.7647 NPC326599
Intermediate Similarity 0.7647 NPC329595
Intermediate Similarity 0.7647 NPC289381
Intermediate Similarity 0.7642 NPC153690
Intermediate Similarity 0.7642 NPC233835
Intermediate Similarity 0.7623 NPC477814
Intermediate Similarity 0.7612 NPC301713
Intermediate Similarity 0.7612 NPC322366
Intermediate Similarity 0.7591 NPC88667
Intermediate Similarity 0.7589 NPC168861
Intermediate Similarity 0.7586 NPC191376
Intermediate Similarity 0.7586 NPC179825
Intermediate Similarity 0.7586 NPC321505
Intermediate Similarity 0.7583 NPC110764
Intermediate Similarity 0.7582 NPC4138
Intermediate Similarity 0.7582 NPC284183
Intermediate Similarity 0.7582 NPC121275
Intermediate Similarity 0.7581 NPC290566
Intermediate Similarity 0.7581 NPC258056
Intermediate Similarity 0.7581 NPC145638
Intermediate Similarity 0.7578 NPC82963
Intermediate Similarity 0.7571 NPC193528
Intermediate Similarity 0.7561 NPC142297
Intermediate Similarity 0.7559 NPC120280
Intermediate Similarity 0.7556 NPC172403
Intermediate Similarity 0.7556 NPC477839
Intermediate Similarity 0.7556 NPC186898
Intermediate Similarity 0.7536 NPC313737
Intermediate Similarity 0.7536 NPC285078
Intermediate Similarity 0.7536 NPC6854
Intermediate Similarity 0.7534 NPC246587
Intermediate Similarity 0.7534 NPC135538
Intermediate Similarity 0.7534 NPC147390
Intermediate Similarity 0.7534 NPC476571
Intermediate Similarity 0.7534 NPC24233
Intermediate Similarity 0.7534 NPC428
Intermediate Similarity 0.752 NPC474149
Intermediate Similarity 0.7519 NPC120075
Intermediate Similarity 0.7519 NPC311737
Intermediate Similarity 0.7519 NPC38458
Intermediate Similarity 0.75 NPC29601
Intermediate Similarity 0.75 NPC231884
Intermediate Similarity 0.75 NPC167944
Intermediate Similarity 0.75 NPC301050
Intermediate Similarity 0.75 NPC131204
Intermediate Similarity 0.75 NPC42793
Intermediate Similarity 0.7483 NPC477565
Intermediate Similarity 0.7483 NPC103379
Intermediate Similarity 0.7481 NPC321561
Intermediate Similarity 0.748 NPC231705
Intermediate Similarity 0.7464 NPC93882
Intermediate Similarity 0.7464 NPC208757
Intermediate Similarity 0.7464 NPC130595
Intermediate Similarity 0.746 NPC268032
Intermediate Similarity 0.7459 NPC12278
Intermediate Similarity 0.7459 NPC120719
Intermediate Similarity 0.7458 NPC32714
Intermediate Similarity 0.7458 NPC107522
Intermediate Similarity 0.7458 NPC274678
Intermediate Similarity 0.7452 NPC475215
Intermediate Similarity 0.7452 NPC108434
Intermediate Similarity 0.7448 NPC185838
Intermediate Similarity 0.7447 NPC160607
Intermediate Similarity 0.7447 NPC41473
Intermediate Similarity 0.7447 NPC312770
Intermediate Similarity 0.7447 NPC204848
Intermediate Similarity 0.7447 NPC14600
Intermediate Similarity 0.7445 NPC262641
Intermediate Similarity 0.7442 NPC61062
Intermediate Similarity 0.7442 NPC277394
Intermediate Similarity 0.7442 NPC299252
Intermediate Similarity 0.744 NPC71266
Intermediate Similarity 0.7419 NPC35627
Intermediate Similarity 0.7419 NPC81247
Intermediate Similarity 0.7419 NPC176527
Intermediate Similarity 0.7419 NPC476573
Intermediate Similarity 0.7417 NPC131587
Intermediate Similarity 0.741 NPC160692
Intermediate Similarity 0.7405 NPC217174
Intermediate Similarity 0.7402 NPC51698
Intermediate Similarity 0.7394 NPC299583
Intermediate Similarity 0.7394 NPC231572
Intermediate Similarity 0.7391 NPC326966
Intermediate Similarity 0.7389 NPC109925
Intermediate Similarity 0.7388 NPC307020
Intermediate Similarity 0.7385 NPC175799
Intermediate Similarity 0.7385 NPC200988
Intermediate Similarity 0.7385 NPC86947
Intermediate Similarity 0.7385 NPC610
Intermediate Similarity 0.7385 NPC145023
Intermediate Similarity 0.7377 NPC178902
Intermediate Similarity 0.7373 NPC151715
Intermediate Similarity 0.7373 NPC76938
Intermediate Similarity 0.7372 NPC325651
Intermediate Similarity 0.7364 NPC317254
Intermediate Similarity 0.7361 NPC222039
Intermediate Similarity 0.7361 NPC100478
Intermediate Similarity 0.736 NPC105727
Intermediate Similarity 0.736 NPC34864
Intermediate Similarity 0.736 NPC114392
Intermediate Similarity 0.736 NPC58427
Intermediate Similarity 0.7357 NPC218530
Intermediate Similarity 0.7348 NPC475245
Intermediate Similarity 0.7347 NPC476151
Intermediate Similarity 0.7344 NPC471485
Intermediate Similarity 0.7338 NPC247251
Intermediate Similarity 0.7329 NPC5462
Intermediate Similarity 0.7328 NPC144343
Intermediate Similarity 0.7328 NPC86198
Intermediate Similarity 0.7328 NPC470626
Intermediate Similarity 0.7324 NPC253429
Intermediate Similarity 0.7323 NPC280382
Intermediate Similarity 0.7319 NPC89769
Intermediate Similarity 0.7319 NPC259665
Intermediate Similarity 0.7319 NPC126859
Intermediate Similarity 0.7315 NPC97221
Intermediate Similarity 0.7315 NPC192768
Intermediate Similarity 0.7315 NPC88249
Intermediate Similarity 0.7315 NPC220858
Intermediate Similarity 0.7315 NPC151895
Intermediate Similarity 0.7311 NPC26244
Intermediate Similarity 0.7305 NPC11147
Intermediate Similarity 0.7303 NPC37205
Intermediate Similarity 0.7303 NPC160931

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  356.25
ALogP  -2.3558
MLogP  3.44
XLogP  5.694
HDA  2
HBD  4
Rotatable Bonds  15
TPSA  64.52
RO5 Violation  2