Drug Information

Drug ID:  NPD5229
Drug Name:  2085-P; Pivampicillin
Molecular Formula:  C22H29N3O6S
Canonical SMILES:  O=C([C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)N=C([C@@H](c1ccccc1)N)O)OCOC(=O)C(C)(C)C
Standard InCHI:  InChI=1S/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)/t13-,14-,15+,18-/m1/s1
Standard InCHIKey:  ZEMIJUDPLILVNQ-ZXFNITATSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; DrugBank

  Structural Similarity Between NPASS Natural Products and NPD5229

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 0.9424 NPC468984
High Similarity 0.8523 NPC13470
Intermediate Similarity 0.7778 NPC322878
Intermediate Similarity 0.7744 NPC315388
Intermediate Similarity 0.7687 NPC300315
Intermediate Similarity 0.7405 NPC105717
Intermediate Similarity 0.7338 NPC89489
Intermediate Similarity 0.7273 NPC471265
Intermediate Similarity 0.7273 NPC471264
Intermediate Similarity 0.7251 NPC318930
Intermediate Similarity 0.7251 NPC317725
Intermediate Similarity 0.7251 NPC317362
Intermediate Similarity 0.7251 NPC326407
Intermediate Similarity 0.7244 NPC263493
Intermediate Similarity 0.7244 NPC269398
Intermediate Similarity 0.7222 NPC286551
Intermediate Similarity 0.7215 NPC471680
Intermediate Similarity 0.7197 NPC161069
Intermediate Similarity 0.7162 NPC6975
Intermediate Similarity 0.7143 NPC283783
Intermediate Similarity 0.7143 NPC71684
Intermediate Similarity 0.7143 NPC202521
Intermediate Similarity 0.7125 NPC145113
Intermediate Similarity 0.7115 NPC92784
Intermediate Similarity 0.7115 NPC470884
Intermediate Similarity 0.7115 NPC476133
Intermediate Similarity 0.7115 NPC98424
Intermediate Similarity 0.7115 NPC178662
Intermediate Similarity 0.7107 NPC209509
Intermediate Similarity 0.7107 NPC5620
Intermediate Similarity 0.7107 NPC315266
Intermediate Similarity 0.7075 NPC476990
Intermediate Similarity 0.7051 NPC127741
Intermediate Similarity 0.7044 NPC52748
Intermediate Similarity 0.7044 NPC314388
Intermediate Similarity 0.7044 NPC315283
Intermediate Similarity 0.7037 NPC2501
Intermediate Similarity 0.7034 NPC470544
Intermediate Similarity 0.7019 NPC225648
Intermediate Similarity 0.7019 NPC138775
Intermediate Similarity 0.7019 NPC329761
Intermediate Similarity 0.7013 NPC246079
Intermediate Similarity 0.7 NPC22746
Intermediate Similarity 0.7 NPC313867
Intermediate Similarity 0.7 NPC316008
Remote Similarity 0.6994 NPC7817
Remote Similarity 0.6994 NPC475168
Remote Similarity 0.6986 NPC470545
Remote Similarity 0.698 NPC252878
Remote Similarity 0.6959 NPC200964
Remote Similarity 0.6957 NPC314358
Remote Similarity 0.6954 NPC101719
Remote Similarity 0.6948 NPC130309
Remote Similarity 0.6943 NPC68865
Remote Similarity 0.6939 NPC470546
Remote Similarity 0.6937 NPC476978
Remote Similarity 0.6933 NPC129666
Remote Similarity 0.6933 NPC46427
Remote Similarity 0.6928 NPC473322
Remote Similarity 0.6918 NPC168113
Remote Similarity 0.6914 NPC311658
Remote Similarity 0.6909 NPC122590
Remote Similarity 0.6899 NPC132636
Remote Similarity 0.6887 NPC222466
Remote Similarity 0.6875 NPC176226
Remote Similarity 0.6875 NPC197682
Remote Similarity 0.6875 NPC139326
Remote Similarity 0.6871 NPC471820
Remote Similarity 0.6871 NPC471821
Remote Similarity 0.6867 NPC470902
Remote Similarity 0.6855 NPC476259
Remote Similarity 0.6855 NPC239762
Remote Similarity 0.6855 NPC163392
Remote Similarity 0.6851 NPC329731
Remote Similarity 0.6851 NPC4910
Remote Similarity 0.6849 NPC197470
Remote Similarity 0.6815 NPC248283
Remote Similarity 0.6813 NPC469427
Remote Similarity 0.6813 NPC469426
Remote Similarity 0.681 NPC128237
Remote Similarity 0.681 NPC83790
Remote Similarity 0.6803 NPC315276
Remote Similarity 0.6803 NPC14672
Remote Similarity 0.6803 NPC239357
Remote Similarity 0.6803 NPC285926
Remote Similarity 0.6753 NPC319766
Remote Similarity 0.6752 NPC287401
Remote Similarity 0.6748 NPC262077
Remote Similarity 0.6748 NPC81026
Remote Similarity 0.6747 NPC162104
Remote Similarity 0.6746 NPC326349
Remote Similarity 0.6746 NPC197743
Remote Similarity 0.6746 NPC323336
Remote Similarity 0.6746 NPC297145
Remote Similarity 0.6731 NPC255447
Remote Similarity 0.6726 NPC469903
Remote Similarity 0.672 NPC184933
Remote Similarity 0.672 NPC59827
Remote Similarity 0.6712 NPC276949
Remote Similarity 0.6712 NPC35850
Remote Similarity 0.671 NPC111428
Remote Similarity 0.6709 NPC141050
Remote Similarity 0.6707 NPC473341
Remote Similarity 0.669 NPC327481
Remote Similarity 0.6687 NPC266741
Remote Similarity 0.6685 NPC122427
Remote Similarity 0.6685 NPC329961
Remote Similarity 0.6667 NPC77905
Remote Similarity 0.6667 NPC33742
Remote Similarity 0.6667 NPC240848
Remote Similarity 0.6649 NPC477526
Remote Similarity 0.6644 NPC474584
Remote Similarity 0.6623 NPC302169
Remote Similarity 0.6614 NPC477527
Remote Similarity 0.6611 NPC153554
Remote Similarity 0.6606 NPC135121
Remote Similarity 0.6603 NPC469666
Remote Similarity 0.6601 NPC175726
Remote Similarity 0.6601 NPC474082
Remote Similarity 0.6591 NPC475123
Remote Similarity 0.6591 NPC475204
Remote Similarity 0.6585 NPC477217
Remote Similarity 0.6585 NPC201244
Remote Similarity 0.6575 NPC329011
Remote Similarity 0.657 NPC469902
Remote Similarity 0.657 NPC471527
Remote Similarity 0.6561 NPC200589
Remote Similarity 0.6552 NPC63931
Remote Similarity 0.6552 NPC189116
Remote Similarity 0.6552 NPC472923
Remote Similarity 0.655 NPC324850
Remote Similarity 0.6548 NPC300443
Remote Similarity 0.6543 NPC46098
Remote Similarity 0.6543 NPC268841
Remote Similarity 0.6543 NPC307357
Remote Similarity 0.6524 NPC165538
Remote Similarity 0.6514 NPC61004
Remote Similarity 0.6512 NPC62104
Remote Similarity 0.6512 NPC1390
Remote Similarity 0.6507 NPC319579
Remote Similarity 0.649 NPC314992
Remote Similarity 0.6488 NPC324081
Remote Similarity 0.6481 NPC477557
Remote Similarity 0.6481 NPC77992
Remote Similarity 0.6479 NPC164859
Remote Similarity 0.6474 NPC477937
Remote Similarity 0.6474 NPC469901
Remote Similarity 0.6471 NPC39431
Remote Similarity 0.6467 NPC2265
Remote Similarity 0.6457 NPC22883
Remote Similarity 0.6457 NPC217804
Remote Similarity 0.6457 NPC210377
Remote Similarity 0.6457 NPC5719
Remote Similarity 0.6441 NPC473000
Remote Similarity 0.6433 NPC473580
Remote Similarity 0.6424 NPC169328
Remote Similarity 0.642 NPC15068
Remote Similarity 0.6416 NPC469898
Remote Similarity 0.6412 NPC56685
Remote Similarity 0.6412 NPC262166
Remote Similarity 0.6407 NPC16188
Remote Similarity 0.6404 NPC46009
Remote Similarity 0.6402 NPC476989
Remote Similarity 0.64 NPC101139
Remote Similarity 0.6393 NPC477637
Remote Similarity 0.6389 NPC476198
Remote Similarity 0.6389 NPC471165
Remote Similarity 0.6389 NPC67043
Remote Similarity 0.6384 NPC63040
Remote Similarity 0.6382 NPC310467
Remote Similarity 0.6382 NPC237420
Remote Similarity 0.638 NPC242159
Remote Similarity 0.638 NPC313694
Remote Similarity 0.638 NPC287358
Remote Similarity 0.6379 NPC469243
Remote Similarity 0.6375 NPC246913
Remote Similarity 0.6375 NPC325479
Remote Similarity 0.6369 NPC89831
Remote Similarity 0.6353 NPC233702
Remote Similarity 0.6348 NPC469904
Remote Similarity 0.6348 NPC129486
Remote Similarity 0.6343 NPC68650
Remote Similarity 0.6337 NPC244509
Remote Similarity 0.6337 NPC476268
Remote Similarity 0.6333 NPC137627
Remote Similarity 0.6331 NPC254798
Remote Similarity 0.6322 NPC24617
Remote Similarity 0.6316 NPC261934
Remote Similarity 0.6316 NPC254088
Remote Similarity 0.6316 NPC5194
Remote Similarity 0.6306 NPC4974
Remote Similarity 0.6298 NPC477462
Remote Similarity 0.6298 NPC26108
Remote Similarity 0.6294 NPC473491
Remote Similarity 0.629 NPC299806
Remote Similarity 0.6286 NPC114806
Remote Similarity 0.6286 NPC473003
Remote Similarity 0.6286 NPC475544
Remote Similarity 0.6282 NPC35996
Remote Similarity 0.6281 NPC145178

Drug Structure

External Identifiers

TTD   DAP001171; DIB004370
DrugBank   DB01604
ChEMBL   CHEMBL3182343
IUPHAR/BPS  
PharmaGKB   PA164776912
KEGG Drug  
PubChem CID   33478
ChEBI   8255
CAS Number  33817-20-8

Drug Properties

Molecular Weight  463.18
ALogP  0.7588
MLogP  2.78
XLogP  2.857
HDA  9
HBD  2
Rotatable Bonds  16
TPSA  156.82
RO5 Violation  0