Drug Information

Drug ID:  NPD5484
Drug Name:  Carbenicillin Phenyl Sodium
Molecular Formula:  C23H22N2O6S.Na
Canonical SMILES:  O=C(C(c1ccccc1)C(=N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)[O-])Oc1ccccc1.[Na+]
Standard InCHI:  InChI=1S/C23H22N2O6S.Na/c1-23(2)17(21(28)29)25-19(27)16(20(25)32-23)24-18(26)15(13-9-5-3-6-10-13)22(30)31-14-11-7-4-8-12-14;/h3-12,15-17,20H,1-2H3,(H,24,26)(H,28,29);/q;+1/p-1/t15?,16-,17+,20-;/m1./s1
Standard InCHIKey:  JXSBZDNBNJTHBJ-JPZUGYNPSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD5484

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 0.7857 NPC4910
Intermediate Similarity 0.776 NPC329731
Intermediate Similarity 0.7634 NPC477526
Intermediate Similarity 0.7606 NPC184933
Intermediate Similarity 0.7606 NPC59827
Intermediate Similarity 0.75 NPC472923
Intermediate Similarity 0.7487 NPC477527
Intermediate Similarity 0.7473 NPC475421
Intermediate Similarity 0.7471 NPC287757
Intermediate Similarity 0.7471 NPC324081
Intermediate Similarity 0.7471 NPC319320
Intermediate Similarity 0.7459 NPC315542
Intermediate Similarity 0.7458 NPC254700
Intermediate Similarity 0.7456 NPC189908
Intermediate Similarity 0.7351 NPC167763
Intermediate Similarity 0.7351 NPC470903
Intermediate Similarity 0.7351 NPC470112
Intermediate Similarity 0.7333 NPC196091
Intermediate Similarity 0.7318 NPC473502
Intermediate Similarity 0.7278 NPC315388
Intermediate Similarity 0.7273 NPC299806
Intermediate Similarity 0.7262 NPC468984
Intermediate Similarity 0.7238 NPC473693
Intermediate Similarity 0.7238 NPC471568
Intermediate Similarity 0.7193 NPC16188
Intermediate Similarity 0.7126 NPC233702
Intermediate Similarity 0.712 NPC164608
Intermediate Similarity 0.712 NPC26108
Intermediate Similarity 0.7093 NPC128237
Intermediate Similarity 0.7093 NPC83790
Intermediate Similarity 0.7088 NPC186617
Intermediate Similarity 0.7065 NPC137627
Intermediate Similarity 0.7052 NPC9373
Intermediate Similarity 0.7048 NPC470392
Intermediate Similarity 0.7017 NPC63931
Remote Similarity 0.6989 NPC202198
Remote Similarity 0.6979 NPC234069
Remote Similarity 0.6968 NPC153554
Remote Similarity 0.6968 NPC32064
Remote Similarity 0.6965 NPC246303
Remote Similarity 0.6963 NPC276120
Remote Similarity 0.6954 NPC105717
Remote Similarity 0.6943 NPC174122
Remote Similarity 0.6943 NPC64140
Remote Similarity 0.6935 NPC317362
Remote Similarity 0.6935 NPC318930
Remote Similarity 0.6919 NPC89831
Remote Similarity 0.6914 NPC13470
Remote Similarity 0.6901 NPC476989
Remote Similarity 0.6882 NPC313694
Remote Similarity 0.6882 NPC242159
Remote Similarity 0.6875 NPC473491
Remote Similarity 0.686 NPC161069
Remote Similarity 0.6851 NPC469243
Remote Similarity 0.6851 NPC475544
Remote Similarity 0.6845 NPC476227
Remote Similarity 0.6845 NPC326407
Remote Similarity 0.6845 NPC317725
Remote Similarity 0.6839 NPC81026
Remote Similarity 0.6823 NPC138083
Remote Similarity 0.6821 NPC473378
Remote Similarity 0.6821 NPC473407
Remote Similarity 0.6818 NPC283783
Remote Similarity 0.6798 NPC286551
Remote Similarity 0.6793 NPC61004
Remote Similarity 0.6791 NPC306804
Remote Similarity 0.6782 NPC266741
Remote Similarity 0.6774 NPC40234
Remote Similarity 0.6774 NPC475123
Remote Similarity 0.6774 NPC475204
Remote Similarity 0.6769 NPC29531
Remote Similarity 0.6769 NPC283207
Remote Similarity 0.6763 NPC251036
Remote Similarity 0.6763 NPC212850
Remote Similarity 0.6763 NPC83289
Remote Similarity 0.6763 NPC189724
Remote Similarity 0.676 NPC39431
Remote Similarity 0.6757 NPC294516
Remote Similarity 0.6757 NPC107938
Remote Similarity 0.6755 NPC471165
Remote Similarity 0.6755 NPC279871
Remote Similarity 0.6755 NPC155506
Remote Similarity 0.6755 NPC159767
Remote Similarity 0.675 NPC123859
Remote Similarity 0.674 NPC56635
Remote Similarity 0.6739 NPC223207
Remote Similarity 0.6723 NPC132771
Remote Similarity 0.6722 NPC473580
Remote Similarity 0.6721 NPC241794
Remote Similarity 0.672 NPC469505
Remote Similarity 0.6705 NPC138775
Remote Similarity 0.6705 NPC145113
Remote Similarity 0.6704 NPC262166
Remote Similarity 0.6703 NPC471771
Remote Similarity 0.6703 NPC304074
Remote Similarity 0.6703 NPC290755
Remote Similarity 0.6703 NPC469479
Remote Similarity 0.6699 NPC14877
Remote Similarity 0.6699 NPC145178
Remote Similarity 0.6699 NPC475350
Remote Similarity 0.6686 NPC209509
Remote Similarity 0.6686 NPC322878
Remote Similarity 0.6686 NPC257390
Remote Similarity 0.6683 NPC149962
Remote Similarity 0.6667 NPC141957
Remote Similarity 0.6667 NPC158277
Remote Similarity 0.665 NPC144314
Remote Similarity 0.665 NPC478005
Remote Similarity 0.6649 NPC194671
Remote Similarity 0.6649 NPC269750
Remote Similarity 0.6649 NPC230611
Remote Similarity 0.6648 NPC212699
Remote Similarity 0.6648 NPC207675
Remote Similarity 0.6648 NPC323336
Remote Similarity 0.6648 NPC326349
Remote Similarity 0.6633 NPC471563
Remote Similarity 0.663 NPC476268
Remote Similarity 0.6617 NPC50548
Remote Similarity 0.6614 NPC248670
Remote Similarity 0.6614 NPC273755
Remote Similarity 0.6612 NPC244336
Remote Similarity 0.6611 NPC261934
Remote Similarity 0.6611 NPC5194
Remote Similarity 0.661 NPC225648
Remote Similarity 0.661 NPC247298
Remote Similarity 0.661 NPC329761
Remote Similarity 0.6609 NPC269398
Remote Similarity 0.6609 NPC263493
Remote Similarity 0.6598 NPC471050
Remote Similarity 0.6598 NPC471048
Remote Similarity 0.6598 NPC471049
Remote Similarity 0.6596 NPC198254
Remote Similarity 0.6596 NPC276506
Remote Similarity 0.6596 NPC274198
Remote Similarity 0.6591 NPC471680
Remote Similarity 0.659 NPC106606
Remote Similarity 0.6585 NPC257511
Remote Similarity 0.6583 NPC328763
Remote Similarity 0.6579 NPC473354
Remote Similarity 0.6579 NPC473402
Remote Similarity 0.6579 NPC136797
Remote Similarity 0.6578 NPC302597
Remote Similarity 0.6578 NPC328649
Remote Similarity 0.6568 NPC300315
Remote Similarity 0.6566 NPC248822
Remote Similarity 0.6556 NPC162104
Remote Similarity 0.6555 NPC326333
Remote Similarity 0.6552 NPC242728
Remote Similarity 0.655 NPC274732
Remote Similarity 0.6545 NPC50016
Remote Similarity 0.6543 NPC280022
Remote Similarity 0.6536 NPC245974
Remote Similarity 0.6535 NPC477552
Remote Similarity 0.6535 NPC477550
Remote Similarity 0.6532 NPC127741
Remote Similarity 0.6526 NPC475532
Remote Similarity 0.6522 NPC51345
Remote Similarity 0.6519 NPC56685
Remote Similarity 0.6517 NPC135121
Remote Similarity 0.6513 NPC294951
Remote Similarity 0.6509 NPC473322
Remote Similarity 0.6508 NPC46009
Remote Similarity 0.6497 NPC94862
Remote Similarity 0.6497 NPC5620
Remote Similarity 0.6495 NPC476321
Remote Similarity 0.6495 NPC477637
Remote Similarity 0.6494 NPC307682
Remote Similarity 0.6493 NPC326027
Remote Similarity 0.6492 NPC165285
Remote Similarity 0.6491 NPC2989
Remote Similarity 0.6489 NPC209463
Remote Similarity 0.648 NPC235194
Remote Similarity 0.6477 NPC45037
Remote Similarity 0.6471 NPC325651
Remote Similarity 0.6471 NPC477551
Remote Similarity 0.6471 NPC283079
Remote Similarity 0.6471 NPC478147
Remote Similarity 0.6468 NPC477638
Remote Similarity 0.6468 NPC477632
Remote Similarity 0.6462 NPC471526
Remote Similarity 0.6459 NPC293347
Remote Similarity 0.6458 NPC196243
Remote Similarity 0.6453 NPC244866
Remote Similarity 0.6453 NPC471953
Remote Similarity 0.6453 NPC323662
Remote Similarity 0.6448 NPC244509
Remote Similarity 0.6441 NPC476978
Remote Similarity 0.6437 NPC109580
Remote Similarity 0.6437 NPC138365
Remote Similarity 0.6432 NPC163961
Remote Similarity 0.6432 NPC473305
Remote Similarity 0.6432 NPC61332
Remote Similarity 0.6432 NPC240130
Remote Similarity 0.6429 NPC122590
Remote Similarity 0.6416 NPC169766
Remote Similarity 0.6416 NPC105541
Remote Similarity 0.6412 NPC296712
Remote Similarity 0.6404 NPC316008
Remote Similarity 0.6404 NPC201244
Remote Similarity 0.6404 NPC477217

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  453.11
ALogP  -0.8671
MLogP  3
XLogP  4.9
HDA  7
HBD  1
Rotatable Bonds  11
TPSA  144.63
RO5 Violation  0