Drug Information

Drug ID:  NPD9098
Drug Name:  Picoplatin
Molecular Formula:  C6H7N.2ClH.H3N.Pt
Canonical SMILES:  Cc1ccccn1.N.[Cl-].[Cl-].[Pt+2]
Standard InCHI:  InChI=1S/C6H7N.2ClH.H3N.Pt/c1-6-4-2-3-5-7-6;;;;/h2-5H,1H3;2*1H;1H3;/q;;;;+2/p-2
Standard InCHIKey:  IIMIOEBMYPRQGU-UHFFFAOYSA-L
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD9098

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 NPC231655
High Similarity 0.94 NPC83987
High Similarity 0.9048 NPC76540
High Similarity 0.8972 NPC27802
High Similarity 0.8824 NPC213774
High Similarity 0.8559 NPC473901
Intermediate Similarity 0.8468 NPC235843
Intermediate Similarity 0.8462 NPC46358
Intermediate Similarity 0.8291 NPC182570
Intermediate Similarity 0.8291 NPC265605
Intermediate Similarity 0.8291 NPC48564
Intermediate Similarity 0.8261 NPC297486
Intermediate Similarity 0.8261 NPC240136
Intermediate Similarity 0.8261 NPC471402
Intermediate Similarity 0.8246 NPC84268
Intermediate Similarity 0.819 NPC91958
Intermediate Similarity 0.819 NPC143603
Intermediate Similarity 0.812 NPC11863
Intermediate Similarity 0.8115 NPC313823
Intermediate Similarity 0.8 NPC290094
Intermediate Similarity 0.7934 NPC27740
Intermediate Similarity 0.792 NPC256893
Intermediate Similarity 0.7917 NPC56856
Intermediate Similarity 0.7869 NPC245244
Intermediate Similarity 0.7869 NPC146373
Intermediate Similarity 0.7869 NPC166424
Intermediate Similarity 0.7805 NPC169625
Intermediate Similarity 0.7805 NPC202957
Intermediate Similarity 0.7787 NPC476322
Intermediate Similarity 0.7752 NPC314102
Intermediate Similarity 0.7752 NPC251722
Intermediate Similarity 0.7742 NPC471311
Intermediate Similarity 0.7742 NPC471313
Intermediate Similarity 0.7698 NPC282398
Intermediate Similarity 0.768 NPC89490
Intermediate Similarity 0.7674 NPC328029
Intermediate Similarity 0.7638 NPC82295
Intermediate Similarity 0.7634 NPC315348
Intermediate Similarity 0.7634 NPC316811
Intermediate Similarity 0.7634 NPC32002
Intermediate Similarity 0.7619 NPC475105
Intermediate Similarity 0.7619 NPC475090
Intermediate Similarity 0.7619 NPC329896
Intermediate Similarity 0.76 NPC212125
Intermediate Similarity 0.7581 NPC151489
Intermediate Similarity 0.7563 NPC148140
Intermediate Similarity 0.7557 NPC169433
Intermediate Similarity 0.7542 NPC143156
Intermediate Similarity 0.7538 NPC29886
Intermediate Similarity 0.7538 NPC261195
Intermediate Similarity 0.752 NPC135488
Intermediate Similarity 0.75 NPC324611
Intermediate Similarity 0.75 NPC471322
Intermediate Similarity 0.75 NPC81561
Intermediate Similarity 0.7481 NPC150259
Intermediate Similarity 0.7481 NPC84911
Intermediate Similarity 0.748 NPC476131
Intermediate Similarity 0.748 NPC329825
Intermediate Similarity 0.748 NPC71236
Intermediate Similarity 0.746 NPC165370
Intermediate Similarity 0.746 NPC306397
Intermediate Similarity 0.7422 NPC69914
Intermediate Similarity 0.7422 NPC315320
Intermediate Similarity 0.7417 NPC476566
Intermediate Similarity 0.7405 NPC96102
Intermediate Similarity 0.7402 NPC471589
Intermediate Similarity 0.7368 NPC110126
Intermediate Similarity 0.7368 NPC73767
Intermediate Similarity 0.7364 NPC101165
Intermediate Similarity 0.7348 NPC105127
Intermediate Similarity 0.7348 NPC65408
Intermediate Similarity 0.7333 NPC14223
Intermediate Similarity 0.7328 NPC291517
Intermediate Similarity 0.7317 NPC215519
Intermediate Similarity 0.7313 NPC469784
Intermediate Similarity 0.7313 NPC469780
Intermediate Similarity 0.7313 NPC469761
Intermediate Similarity 0.7313 NPC469768
Intermediate Similarity 0.7313 NPC469779
Intermediate Similarity 0.7313 NPC469767
Intermediate Similarity 0.7313 NPC469783
Intermediate Similarity 0.7308 NPC322488
Intermediate Similarity 0.7295 NPC162689
Intermediate Similarity 0.7295 NPC54102
Intermediate Similarity 0.7259 NPC469766
Intermediate Similarity 0.7246 NPC470111
Intermediate Similarity 0.7246 NPC201380
Intermediate Similarity 0.7246 NPC179787
Intermediate Similarity 0.7231 NPC174421
Intermediate Similarity 0.7226 NPC86288
Intermediate Similarity 0.7218 NPC471312
Intermediate Similarity 0.7206 NPC190296
Intermediate Similarity 0.7194 NPC321911
Intermediate Similarity 0.7185 NPC230002
Intermediate Similarity 0.7185 NPC279081
Intermediate Similarity 0.7176 NPC330326
Intermediate Similarity 0.7174 NPC302159
Intermediate Similarity 0.7174 NPC63545
Intermediate Similarity 0.7174 NPC220523
Intermediate Similarity 0.7164 NPC104049
Intermediate Similarity 0.7143 NPC40070
Intermediate Similarity 0.7122 NPC469811
Intermediate Similarity 0.7101 NPC285731
Intermediate Similarity 0.7101 NPC314372
Intermediate Similarity 0.7101 NPC467188
Intermediate Similarity 0.7092 NPC470233
Intermediate Similarity 0.709 NPC472288
Intermediate Similarity 0.7087 NPC122718
Intermediate Similarity 0.7068 NPC23215
Intermediate Similarity 0.7015 NPC29702
Intermediate Similarity 0.7007 NPC476454
Intermediate Similarity 0.7 NPC287895
Intermediate Similarity 0.7 NPC471957
Remote Similarity 0.6978 NPC159856
Remote Similarity 0.6977 NPC476140
Remote Similarity 0.6972 NPC70406
Remote Similarity 0.6963 NPC114310
Remote Similarity 0.6944 NPC476464
Remote Similarity 0.694 NPC198988
Remote Similarity 0.6929 NPC143872
Remote Similarity 0.6929 NPC316069
Remote Similarity 0.6929 NPC288838
Remote Similarity 0.6929 NPC41174
Remote Similarity 0.6923 NPC325903
Remote Similarity 0.6923 NPC278451
Remote Similarity 0.6923 NPC138842
Remote Similarity 0.6906 NPC471323
Remote Similarity 0.6901 NPC313889
Remote Similarity 0.6901 NPC105818
Remote Similarity 0.6901 NPC53947
Remote Similarity 0.6901 NPC24678
Remote Similarity 0.6897 NPC236711
Remote Similarity 0.6897 NPC129721
Remote Similarity 0.6889 NPC325252
Remote Similarity 0.6879 NPC105811
Remote Similarity 0.6861 NPC104483
Remote Similarity 0.6853 NPC470823
Remote Similarity 0.6853 NPC472260
Remote Similarity 0.6849 NPC56765
Remote Similarity 0.6849 NPC80681
Remote Similarity 0.6849 NPC477591
Remote Similarity 0.6847 NPC196580
Remote Similarity 0.6835 NPC20144
Remote Similarity 0.6812 NPC318935
Remote Similarity 0.6806 NPC469763
Remote Similarity 0.6806 NPC469786
Remote Similarity 0.6806 NPC73952
Remote Similarity 0.6806 NPC251391
Remote Similarity 0.6806 NPC469765
Remote Similarity 0.6806 NPC25008
Remote Similarity 0.6806 NPC259644
Remote Similarity 0.6806 NPC469760
Remote Similarity 0.6806 NPC141926
Remote Similarity 0.6806 NPC200214
Remote Similarity 0.6803 NPC25899
Remote Similarity 0.6803 NPC215584
Remote Similarity 0.6803 NPC44773
Remote Similarity 0.6786 NPC230085
Remote Similarity 0.6786 NPC159630
Remote Similarity 0.6767 NPC22079
Remote Similarity 0.6761 NPC477974
Remote Similarity 0.6759 NPC262236
Remote Similarity 0.6759 NPC212376
Remote Similarity 0.6759 NPC211572
Remote Similarity 0.6759 NPC34844
Remote Similarity 0.6759 NPC277608
Remote Similarity 0.6759 NPC70922
Remote Similarity 0.6759 NPC209362
Remote Similarity 0.6759 NPC75540
Remote Similarity 0.6759 NPC80597
Remote Similarity 0.6736 NPC216713
Remote Similarity 0.6735 NPC293487
Remote Similarity 0.6729 NPC76536
Remote Similarity 0.6712 NPC51054
Remote Similarity 0.6711 NPC478182
Remote Similarity 0.6711 NPC265100
Remote Similarity 0.6711 NPC90723
Remote Similarity 0.6691 NPC2949
Remote Similarity 0.6691 NPC59084
Remote Similarity 0.6689 NPC470204
Remote Similarity 0.6689 NPC122141
Remote Similarity 0.6667 NPC286427
Remote Similarity 0.6644 NPC225018
Remote Similarity 0.6644 NPC48192
Remote Similarity 0.6644 NPC478185
Remote Similarity 0.6644 NPC229055
Remote Similarity 0.6644 NPC470203
Remote Similarity 0.6643 NPC473868
Remote Similarity 0.6643 NPC112741
Remote Similarity 0.6643 NPC63157
Remote Similarity 0.6641 NPC273714
Remote Similarity 0.6623 NPC41717
Remote Similarity 0.6622 NPC41257
Remote Similarity 0.6622 NPC318065
Remote Similarity 0.6622 NPC206819
Remote Similarity 0.662 NPC167400
Remote Similarity 0.6619 NPC88097
Remote Similarity 0.66 NPC317105
Remote Similarity 0.66 NPC478184
Remote Similarity 0.6599 NPC469785

Drug Structure

External Identifiers

TTD  
DrugBank   DB04874
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  181630-15-9

Drug Properties

Molecular Weight  93.06
ALogP  0.4395
MLogP  2.01
XLogP  1.897
HDA  1
HBD  0
Rotatable Bonds  1
TPSA  12.89
RO5 Violation  0