Drug Information

Drug ID:  NPD1483
Drug Name:  tricyclic broad-spectrum metallo-beta-lactamase inhibitors, SmithKline Beecham
Molecular Formula:  C14H9NO6
Canonical SMILES:  Cc1ncc2c(c1)oc1c(c2=O)c(C(=O)O)c(c(c1)O)O
Standard InCHI:  InChI=1S/C14H9NO6/c1-5-2-8-6(4-15-5)12(17)10-9(21-8)3-7(16)13(18)11(10)14(19)20/h2-4,16,18H,1H3,(H,19,20)
Standard InCHIKey:  JQSDDXAUCUZICT-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1483

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 0.9861 NPC107123
High Similarity 0.8783 NPC134637
High Similarity 0.8559 NPC119134
Intermediate Similarity 0.817 NPC15406
Intermediate Similarity 0.8133 NPC469439
Intermediate Similarity 0.8122 NPC246381
Intermediate Similarity 0.7967 NPC77878
Intermediate Similarity 0.7967 NPC183537
Intermediate Similarity 0.7965 NPC473822
Intermediate Similarity 0.7895 NPC471978
Intermediate Similarity 0.7886 NPC473833
Intermediate Similarity 0.7869 NPC478045
Intermediate Similarity 0.7833 NPC471013
Intermediate Similarity 0.7833 NPC148896
Intermediate Similarity 0.7833 NPC180668
Intermediate Similarity 0.7828 NPC471015
Intermediate Similarity 0.7819 NPC302807
Intermediate Similarity 0.78 NPC471979
Intermediate Similarity 0.7797 NPC90875
Intermediate Similarity 0.7796 NPC53255
Intermediate Similarity 0.7796 NPC85879
Intermediate Similarity 0.7787 NPC233334
Intermediate Similarity 0.7773 NPC129897
Intermediate Similarity 0.7764 NPC13603
Intermediate Similarity 0.7759 NPC124313
Intermediate Similarity 0.7752 NPC224928
Intermediate Similarity 0.7724 NPC326930
Intermediate Similarity 0.7724 NPC475301
Intermediate Similarity 0.7705 NPC10904
Intermediate Similarity 0.7699 NPC220337
Intermediate Similarity 0.7676 NPC84164
Intermediate Similarity 0.7676 NPC207283
Intermediate Similarity 0.7675 NPC146976
Intermediate Similarity 0.7669 NPC201508
Intermediate Similarity 0.7662 NPC54066
Intermediate Similarity 0.7635 NPC210296
Intermediate Similarity 0.7632 NPC236668
Intermediate Similarity 0.7629 NPC253314
Intermediate Similarity 0.7627 NPC24019
Intermediate Similarity 0.7623 NPC324619
Intermediate Similarity 0.7623 NPC475315
Intermediate Similarity 0.761 NPC328928
Intermediate Similarity 0.76 NPC193238
Intermediate Similarity 0.7593 NPC253482
Intermediate Similarity 0.7582 NPC475533
Intermediate Similarity 0.7573 NPC35208
Intermediate Similarity 0.7573 NPC475426
Intermediate Similarity 0.7562 NPC49672
Intermediate Similarity 0.7552 NPC166722
Intermediate Similarity 0.7531 NPC255800
Intermediate Similarity 0.7531 NPC96584
Intermediate Similarity 0.7523 NPC469390
Intermediate Similarity 0.751 NPC189903
Intermediate Similarity 0.751 NPC182907
Intermediate Similarity 0.75 NPC61350
Intermediate Similarity 0.75 NPC146724
Intermediate Similarity 0.75 NPC475648
Intermediate Similarity 0.75 NPC134702
Intermediate Similarity 0.7489 NPC94842
Intermediate Similarity 0.7489 NPC57797
Intermediate Similarity 0.7489 NPC250807
Intermediate Similarity 0.7489 NPC56170
Intermediate Similarity 0.7469 NPC108342
Intermediate Similarity 0.7468 NPC228377
Intermediate Similarity 0.7468 NPC328186
Intermediate Similarity 0.7468 NPC124029
Intermediate Similarity 0.7468 NPC211920
Intermediate Similarity 0.7468 NPC475601
Intermediate Similarity 0.7468 NPC122968
Intermediate Similarity 0.7468 NPC477787
Intermediate Similarity 0.7467 NPC220241
Intermediate Similarity 0.7467 NPC295479
Intermediate Similarity 0.7458 NPC473850
Intermediate Similarity 0.7455 NPC155792
Intermediate Similarity 0.7448 NPC96801
Intermediate Similarity 0.7448 NPC150698
Intermediate Similarity 0.7447 NPC122463
Intermediate Similarity 0.7447 NPC210434
Intermediate Similarity 0.7431 NPC282346
Intermediate Similarity 0.7431 NPC44354
Intermediate Similarity 0.7426 NPC473506
Intermediate Similarity 0.7417 NPC469748
Intermediate Similarity 0.7415 NPC76565
Intermediate Similarity 0.741 NPC318068
Intermediate Similarity 0.7395 NPC475631
Intermediate Similarity 0.7395 NPC146824
Intermediate Similarity 0.7395 NPC87152
Intermediate Similarity 0.7395 NPC476110
Intermediate Similarity 0.7395 NPC475600
Intermediate Similarity 0.7389 NPC317572
Intermediate Similarity 0.7386 NPC22481
Intermediate Similarity 0.7384 NPC475137
Intermediate Similarity 0.7384 NPC477902
Intermediate Similarity 0.7384 NPC475498
Intermediate Similarity 0.7375 NPC316841
Intermediate Similarity 0.7375 NPC477906
Intermediate Similarity 0.7375 NPC292416
Intermediate Similarity 0.7375 NPC473689
Intermediate Similarity 0.7371 NPC2905
Intermediate Similarity 0.7366 NPC476995
Intermediate Similarity 0.7364 NPC470486
Intermediate Similarity 0.7364 NPC475362
Intermediate Similarity 0.7364 NPC475644
Intermediate Similarity 0.7364 NPC471977
Intermediate Similarity 0.7364 NPC473639
Intermediate Similarity 0.7364 NPC471190
Intermediate Similarity 0.7362 NPC215837
Intermediate Similarity 0.7362 NPC174049
Intermediate Similarity 0.7359 NPC202605
Intermediate Similarity 0.7359 NPC112206
Intermediate Similarity 0.7344 NPC244839
Intermediate Similarity 0.7344 NPC319880
Intermediate Similarity 0.7344 NPC320324
Intermediate Similarity 0.7333 NPC469792
Intermediate Similarity 0.7331 NPC118189
Intermediate Similarity 0.7328 NPC114468
Intermediate Similarity 0.7319 NPC301368
Intermediate Similarity 0.7319 NPC216428
Intermediate Similarity 0.7319 NPC84815
Intermediate Similarity 0.7315 NPC470042
Intermediate Similarity 0.7314 NPC237702
Intermediate Similarity 0.7311 NPC328154
Intermediate Similarity 0.7309 NPC270515
Intermediate Similarity 0.7308 NPC471016
Intermediate Similarity 0.7305 NPC132385
Intermediate Similarity 0.7303 NPC475596
Intermediate Similarity 0.7303 NPC475303
Intermediate Similarity 0.73 NPC477788
Intermediate Similarity 0.7296 NPC148391
Intermediate Similarity 0.7296 NPC264674
Intermediate Similarity 0.7287 NPC188400
Intermediate Similarity 0.7284 NPC475406
Intermediate Similarity 0.7284 NPC327769
Intermediate Similarity 0.7281 NPC210256
Intermediate Similarity 0.7277 NPC62367
Intermediate Similarity 0.7277 NPC182853
Intermediate Similarity 0.7276 NPC88923
Intermediate Similarity 0.7276 NPC315634
Intermediate Similarity 0.7276 NPC100734
Intermediate Similarity 0.7273 NPC470020
Intermediate Similarity 0.7273 NPC30456
Intermediate Similarity 0.7269 NPC1608
Intermediate Similarity 0.7266 NPC209981
Intermediate Similarity 0.7265 NPC477909
Intermediate Similarity 0.7265 NPC42678
Intermediate Similarity 0.7265 NPC470306
Intermediate Similarity 0.7265 NPC477907
Intermediate Similarity 0.7261 NPC278525
Intermediate Similarity 0.7257 NPC477912
Intermediate Similarity 0.7257 NPC76478
Intermediate Similarity 0.7255 NPC191489
Intermediate Similarity 0.7254 NPC38959
Intermediate Similarity 0.7254 NPC327904
Intermediate Similarity 0.7246 NPC74360
Intermediate Similarity 0.7238 NPC26881
Intermediate Similarity 0.7238 NPC97746
Intermediate Similarity 0.7237 NPC469440
Intermediate Similarity 0.7234 NPC6981
Intermediate Similarity 0.7234 NPC471014
Intermediate Similarity 0.7234 NPC475408
Intermediate Similarity 0.7229 NPC304179
Intermediate Similarity 0.7229 NPC472550
Intermediate Similarity 0.7229 NPC48042
Intermediate Similarity 0.7227 NPC127720
Intermediate Similarity 0.7227 NPC127026
Intermediate Similarity 0.722 NPC476997
Intermediate Similarity 0.722 NPC476994
Intermediate Similarity 0.721 NPC472553
Intermediate Similarity 0.7208 NPC285254
Intermediate Similarity 0.7208 NPC148860
Intermediate Similarity 0.7203 NPC294579
Intermediate Similarity 0.7203 NPC144779
Intermediate Similarity 0.72 NPC90229
Intermediate Similarity 0.7197 NPC471980
Intermediate Similarity 0.7191 NPC477910
Intermediate Similarity 0.7191 NPC30570
Intermediate Similarity 0.719 NPC476998
Intermediate Similarity 0.719 NPC476996
Intermediate Similarity 0.7186 NPC63041
Intermediate Similarity 0.7185 NPC7560
Intermediate Similarity 0.7185 NPC477903
Intermediate Similarity 0.7178 NPC13249
Intermediate Similarity 0.7175 NPC114039
Intermediate Similarity 0.7175 NPC206109
Intermediate Similarity 0.7173 NPC472555
Intermediate Similarity 0.7172 NPC172222
Intermediate Similarity 0.7165 NPC101312
Intermediate Similarity 0.7161 NPC206343
Intermediate Similarity 0.7161 NPC477908
Intermediate Similarity 0.716 NPC316065
Intermediate Similarity 0.716 NPC289905
Intermediate Similarity 0.716 NPC217176
Intermediate Similarity 0.7155 NPC477911
Intermediate Similarity 0.7155 NPC235364
Intermediate Similarity 0.7149 NPC160100
Intermediate Similarity 0.7149 NPC4421
Intermediate Similarity 0.7149 NPC228331
Intermediate Similarity 0.7143 NPC253675
Intermediate Similarity 0.7143 NPC477901
Intermediate Similarity 0.7143 NPC164340

Drug Structure

External Identifiers

TTD   DIB001617
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  287.04
ALogP  -1.1388
MLogP  2.23
XLogP  1.327
HDA  4
HBD  3
Rotatable Bonds  5
TPSA  116.95
RO5 Violation  0