Drug Information

Drug ID:  NPD1972
Drug Name:  Fenoldopam Mesylate
Molecular Formula:  C16H16ClNO3.CH4O3S
Canonical SMILES:  CS(=O)(=O)O.Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O
Standard InCHI:  InChI=1S/C16H16ClNO3.CH4O3S/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21;1-5(2,3)4/h1-4,7,13,18-21H,5-6,8H2;1H3,(H,2,3,4)
Standard InCHIKey:  CVKUMNRCIJMVAR-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1972

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
Intermediate Similarity 0.7829 NPC170170
Intermediate Similarity 0.7829 NPC219233
Intermediate Similarity 0.7829 NPC211468
Intermediate Similarity 0.7778 NPC323123
Intermediate Similarity 0.774 NPC318965
Intermediate Similarity 0.7676 NPC85276
Intermediate Similarity 0.7434 NPC33338
Intermediate Similarity 0.7434 NPC302171
Intermediate Similarity 0.7434 NPC300020
Intermediate Similarity 0.7376 NPC146422
Intermediate Similarity 0.7351 NPC271808
Intermediate Similarity 0.7256 NPC277669
Intermediate Similarity 0.7256 NPC76213
Intermediate Similarity 0.7219 NPC323775
Intermediate Similarity 0.7219 NPC236347
Intermediate Similarity 0.7169 NPC477564
Intermediate Similarity 0.7169 NPC2295
Intermediate Similarity 0.7143 NPC268572
Intermediate Similarity 0.7134 NPC207824
Intermediate Similarity 0.7134 NPC60538
Intermediate Similarity 0.7123 NPC283468
Intermediate Similarity 0.7097 NPC149379
Intermediate Similarity 0.7092 NPC146096
Intermediate Similarity 0.7075 NPC122009
Intermediate Similarity 0.7 NPC42644
Remote Similarity 0.698 NPC115627
Remote Similarity 0.698 NPC169207
Remote Similarity 0.698 NPC118522
Remote Similarity 0.6959 NPC15350
Remote Similarity 0.6933 NPC294249
Remote Similarity 0.6923 NPC228343
Remote Similarity 0.6923 NPC48909
Remote Similarity 0.6923 NPC254833
Remote Similarity 0.6918 NPC142599
Remote Similarity 0.6909 NPC191376
Remote Similarity 0.6909 NPC179825
Remote Similarity 0.6909 NPC321505
Remote Similarity 0.6879 NPC239291
Remote Similarity 0.6867 NPC147390
Remote Similarity 0.6867 NPC135538
Remote Similarity 0.6867 NPC246587
Remote Similarity 0.6867 NPC476571
Remote Similarity 0.6867 NPC428
Remote Similarity 0.6867 NPC24233
Remote Similarity 0.6852 NPC323204
Remote Similarity 0.6839 NPC4138
Remote Similarity 0.6839 NPC284183
Remote Similarity 0.6839 NPC121275
Remote Similarity 0.6826 NPC477565
Remote Similarity 0.6826 NPC103379
Remote Similarity 0.6821 NPC284078
Remote Similarity 0.68 NPC81247
Remote Similarity 0.68 NPC35627
Remote Similarity 0.68 NPC476573
Remote Similarity 0.6797 NPC140359
Remote Similarity 0.6797 NPC13020
Remote Similarity 0.6788 NPC185838
Remote Similarity 0.6779 NPC137096
Remote Similarity 0.6752 NPC126859
Remote Similarity 0.6752 NPC259665
Remote Similarity 0.6752 NPC185313
Remote Similarity 0.6752 NPC89769
Remote Similarity 0.6738 NPC68055
Remote Similarity 0.6736 NPC233835
Remote Similarity 0.6735 NPC91452
Remote Similarity 0.6732 NPC298486
Remote Similarity 0.6731 NPC26576
Remote Similarity 0.6731 NPC8305
Remote Similarity 0.6731 NPC66177
Remote Similarity 0.6731 NPC268763
Remote Similarity 0.6708 NPC131204
Remote Similarity 0.6708 NPC301050
Remote Similarity 0.6707 NPC476151
Remote Similarity 0.669 NPC471511
Remote Similarity 0.669 NPC55617
Remote Similarity 0.669 NPC62258
Remote Similarity 0.6689 NPC120280
Remote Similarity 0.6688 NPC124802
Remote Similarity 0.6688 NPC318777
Remote Similarity 0.6686 NPC151895
Remote Similarity 0.6686 NPC97221
Remote Similarity 0.6686 NPC124433
Remote Similarity 0.6686 NPC220858
Remote Similarity 0.6686 NPC192768
Remote Similarity 0.6686 NPC88249
Remote Similarity 0.6686 NPC293871
Remote Similarity 0.6685 NPC109925
Remote Similarity 0.6667 NPC214869
Remote Similarity 0.6648 NPC475215
Remote Similarity 0.6648 NPC108434
Remote Similarity 0.6646 NPC246991
Remote Similarity 0.6644 NPC174096
Remote Similarity 0.6644 NPC244403
Remote Similarity 0.6644 NPC79793
Remote Similarity 0.6644 NPC226401
Remote Similarity 0.6644 NPC147634
Remote Similarity 0.6644 NPC120982
Remote Similarity 0.6628 NPC127674
Remote Similarity 0.6628 NPC5238
Remote Similarity 0.6628 NPC189266
Remote Similarity 0.6628 NPC276588
Remote Similarity 0.6628 NPC204828
Remote Similarity 0.6628 NPC2413
Remote Similarity 0.6628 NPC295691
Remote Similarity 0.6628 NPC172765
Remote Similarity 0.6628 NPC39701
Remote Similarity 0.6628 NPC249797
Remote Similarity 0.6628 NPC278799
Remote Similarity 0.6628 NPC469817
Remote Similarity 0.6628 NPC207757
Remote Similarity 0.6628 NPC184026
Remote Similarity 0.6628 NPC110416
Remote Similarity 0.6628 NPC54379
Remote Similarity 0.6628 NPC193949
Remote Similarity 0.6625 NPC160692
Remote Similarity 0.6624 NPC161593
Remote Similarity 0.6624 NPC145888
Remote Similarity 0.6624 NPC251571
Remote Similarity 0.6624 NPC16031
Remote Similarity 0.6622 NPC471485
Remote Similarity 0.6611 NPC192135
Remote Similarity 0.6611 NPC477020
Remote Similarity 0.6611 NPC66341
Remote Similarity 0.6606 NPC131379
Remote Similarity 0.6604 NPC114102
Remote Similarity 0.6599 NPC257430
Remote Similarity 0.6599 NPC179002
Remote Similarity 0.6599 NPC187583
Remote Similarity 0.6597 NPC477814
Remote Similarity 0.6592 NPC69712
Remote Similarity 0.6592 NPC477562
Remote Similarity 0.6592 NPC26240
Remote Similarity 0.6582 NPC155838
Remote Similarity 0.6575 NPC329969
Remote Similarity 0.6571 NPC18402
Remote Similarity 0.657 NPC475557
Remote Similarity 0.6564 NPC253429
Remote Similarity 0.6564 NPC193528
Remote Similarity 0.6561 NPC8058
Remote Similarity 0.6556 NPC16030
Remote Similarity 0.6554 NPC471179
Remote Similarity 0.6543 NPC6913
Remote Similarity 0.6541 NPC52029
Remote Similarity 0.6541 NPC35961
Remote Similarity 0.6541 NPC195749
Remote Similarity 0.6533 NPC10286
Remote Similarity 0.6533 NPC213
Remote Similarity 0.6527 NPC125852
Remote Similarity 0.6525 NPC125732
Remote Similarity 0.6522 NPC139335
Remote Similarity 0.6522 NPC267237
Remote Similarity 0.6519 NPC153990
Remote Similarity 0.6512 NPC133011
Remote Similarity 0.6512 NPC82285
Remote Similarity 0.6507 NPC96224
Remote Similarity 0.6507 NPC24101
Remote Similarity 0.6507 NPC11554
Remote Similarity 0.6503 NPC231884
Remote Similarity 0.6503 NPC167944
Remote Similarity 0.6503 NPC196479
Remote Similarity 0.6503 NPC42793
Remote Similarity 0.65 NPC329595
Remote Similarity 0.65 NPC326599
Remote Similarity 0.6494 NPC56379
Remote Similarity 0.6486 NPC297657
Remote Similarity 0.6485 NPC314682
Remote Similarity 0.6481 NPC218530
Remote Similarity 0.6479 NPC223393
Remote Similarity 0.6477 NPC27410
Remote Similarity 0.6477 NPC166014
Remote Similarity 0.6474 NPC307020
Remote Similarity 0.6471 NPC217174
Remote Similarity 0.6471 NPC281298
Remote Similarity 0.6471 NPC310338
Remote Similarity 0.6467 NPC474507
Remote Similarity 0.646 NPC208757
Remote Similarity 0.646 NPC88667
Remote Similarity 0.6458 NPC120719
Remote Similarity 0.6457 NPC79328
Remote Similarity 0.6456 NPC301713
Remote Similarity 0.6456 NPC321561
Remote Similarity 0.6456 NPC322366
Remote Similarity 0.6454 NPC109955
Remote Similarity 0.6452 NPC237667
Remote Similarity 0.6448 NPC173416
Remote Similarity 0.6448 NPC148709
Remote Similarity 0.6448 NPC476577
Remote Similarity 0.6447 NPC278652
Remote Similarity 0.6446 NPC474915
Remote Similarity 0.6446 NPC213206
Remote Similarity 0.6446 NPC328750
Remote Similarity 0.6446 NPC188163
Remote Similarity 0.6444 NPC83198
Remote Similarity 0.6444 NPC204908
Remote Similarity 0.6441 NPC60186
Remote Similarity 0.6437 NPC80129
Remote Similarity 0.6437 NPC187022
Remote Similarity 0.6436 NPC51047
Remote Similarity 0.6433 NPC33402
Remote Similarity 0.6429 NPC321133

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  305.08
ALogP  -0.8125
MLogP  2.67
XLogP  2.079
HDA  1
HBD  4
Rotatable Bonds  5
TPSA  72.72
RO5 Violation  0