Drug Information

Drug ID:  NPD8325
Drug Name:  Cethromycin
Molecular Formula:  C42H59N3O10
Canonical SMILES:  CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@@H]2[C@]1(C)OC(=N2)O)C)C)(C)OCC=Cc1cnc2c(c1)cccc2
Standard InCHI:  InChI=1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,41-,42-/m1/s1
Standard InCHIKey:  PENDGIOBPJLVBT-AMXFZXBBSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD8325

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 0.7951 NPC160127
Intermediate Similarity 0.7951 NPC50997
Intermediate Similarity 0.7811 NPC328798
Intermediate Similarity 0.7783 NPC127647
Intermediate Similarity 0.7767 NPC313640
Intermediate Similarity 0.7729 NPC149708
Intermediate Similarity 0.7727 NPC475271
Intermediate Similarity 0.7706 NPC52254
Intermediate Similarity 0.7689 NPC474905
Intermediate Similarity 0.7685 NPC182814
Intermediate Similarity 0.7661 NPC82070
Intermediate Similarity 0.7635 NPC325775
Intermediate Similarity 0.7612 NPC325093
Intermediate Similarity 0.7612 NPC327373
Intermediate Similarity 0.7593 NPC292517
Intermediate Similarity 0.7585 NPC20593
Intermediate Similarity 0.7569 NPC30570
Intermediate Similarity 0.7537 NPC318020
Intermediate Similarity 0.7535 NPC472752
Intermediate Similarity 0.7534 NPC162812
Intermediate Similarity 0.7534 NPC233727
Intermediate Similarity 0.7524 NPC472097
Intermediate Similarity 0.7512 NPC111732
Intermediate Similarity 0.7511 NPC472435
Intermediate Similarity 0.75 NPC476874
Intermediate Similarity 0.75 NPC281049
Intermediate Similarity 0.749 NPC472436
Intermediate Similarity 0.7489 NPC476114
Intermediate Similarity 0.7489 NPC476516
Intermediate Similarity 0.7477 NPC317752
Intermediate Similarity 0.7467 NPC211920
Intermediate Similarity 0.7467 NPC124029
Intermediate Similarity 0.7465 NPC476115
Intermediate Similarity 0.7463 NPC472323
Intermediate Similarity 0.7454 NPC477548
Intermediate Similarity 0.7451 NPC62510
Intermediate Similarity 0.7445 NPC477906
Intermediate Similarity 0.7438 NPC322043
Intermediate Similarity 0.7431 NPC318299
Intermediate Similarity 0.7424 NPC475426
Intermediate Similarity 0.7424 NPC35208
Intermediate Similarity 0.7422 NPC472762
Intermediate Similarity 0.7399 NPC2395
Intermediate Similarity 0.7395 NPC238457
Intermediate Similarity 0.7395 NPC309498
Intermediate Similarity 0.7389 NPC57690
Intermediate Similarity 0.7378 NPC141428
Intermediate Similarity 0.7378 NPC235885
Intermediate Similarity 0.7378 NPC477902
Intermediate Similarity 0.7371 NPC253482
Intermediate Similarity 0.7368 NPC150698
Intermediate Similarity 0.7368 NPC96801
Intermediate Similarity 0.7361 NPC156044
Intermediate Similarity 0.7356 NPC117244
Intermediate Similarity 0.7356 NPC473763
Intermediate Similarity 0.7352 NPC476467
Intermediate Similarity 0.7345 NPC473506
Intermediate Similarity 0.7336 NPC469748
Intermediate Similarity 0.7333 NPC64216
Intermediate Similarity 0.7327 NPC127677
Intermediate Similarity 0.7324 NPC79223
Intermediate Similarity 0.7319 NPC476090
Intermediate Similarity 0.7318 NPC229348
Intermediate Similarity 0.7313 NPC469938
Intermediate Similarity 0.7313 NPC475601
Intermediate Similarity 0.7311 NPC102008
Intermediate Similarity 0.7301 NPC473850
Intermediate Similarity 0.7301 NPC475137
Intermediate Similarity 0.7301 NPC475498
Intermediate Similarity 0.729 NPC328559
Intermediate Similarity 0.7281 NPC471190
Intermediate Similarity 0.7281 NPC470486
Intermediate Similarity 0.7281 NPC475644
Intermediate Similarity 0.7281 NPC46225
Intermediate Similarity 0.7281 NPC475835
Intermediate Similarity 0.7281 NPC471977
Intermediate Similarity 0.7277 NPC475648
Intermediate Similarity 0.7273 NPC151976
Intermediate Similarity 0.7269 NPC25442
Intermediate Similarity 0.7269 NPC12944
Intermediate Similarity 0.7269 NPC267926
Intermediate Similarity 0.7265 NPC187494
Intermediate Similarity 0.7265 NPC62367
Intermediate Similarity 0.7257 NPC266192
Intermediate Similarity 0.7257 NPC76565
Intermediate Similarity 0.7257 NPC57797
Intermediate Similarity 0.7257 NPC250807
Intermediate Similarity 0.7255 NPC15840
Intermediate Similarity 0.7252 NPC204491
Intermediate Similarity 0.7252 NPC207531
Intermediate Similarity 0.7246 NPC476517
Intermediate Similarity 0.7246 NPC235684
Intermediate Similarity 0.7237 NPC228377
Intermediate Similarity 0.7237 NPC475600
Intermediate Similarity 0.7237 NPC87152
Intermediate Similarity 0.7237 NPC328186
Intermediate Similarity 0.7237 NPC477787
Intermediate Similarity 0.7237 NPC476110
Intermediate Similarity 0.7237 NPC122968
Intermediate Similarity 0.7237 NPC475631
Intermediate Similarity 0.7232 NPC216428
Intermediate Similarity 0.7232 NPC472555
Intermediate Similarity 0.723 NPC320748
Intermediate Similarity 0.723 NPC324245
Intermediate Similarity 0.7225 NPC26881
Intermediate Similarity 0.7209 NPC32451
Intermediate Similarity 0.7207 NPC274842
Intermediate Similarity 0.7205 NPC475362
Intermediate Similarity 0.7198 NPC327769
Intermediate Similarity 0.7198 NPC170751
Intermediate Similarity 0.7195 NPC472553
Intermediate Similarity 0.7195 NPC244856
Intermediate Similarity 0.7192 NPC150048
Intermediate Similarity 0.7192 NPC203754
Intermediate Similarity 0.7188 NPC174788
Intermediate Similarity 0.7188 NPC319556
Intermediate Similarity 0.7188 NPC314270
Intermediate Similarity 0.7186 NPC30456
Intermediate Similarity 0.7175 NPC42678
Intermediate Similarity 0.7175 NPC477907
Intermediate Similarity 0.7175 NPC193361
Intermediate Similarity 0.7175 NPC477909
Intermediate Similarity 0.7175 NPC62844
Intermediate Similarity 0.7169 NPC258062
Intermediate Similarity 0.7168 NPC477912
Intermediate Similarity 0.7163 NPC214428
Intermediate Similarity 0.7162 NPC146824
Intermediate Similarity 0.7162 NPC236424
Intermediate Similarity 0.7162 NPC221100
Intermediate Similarity 0.7162 NPC234078
Intermediate Similarity 0.7162 NPC472291
Intermediate Similarity 0.7162 NPC306644
Intermediate Similarity 0.7156 NPC84815
Intermediate Similarity 0.7156 NPC277350
Intermediate Similarity 0.7156 NPC317373
Intermediate Similarity 0.7156 NPC301368
Intermediate Similarity 0.7155 NPC237702
Intermediate Similarity 0.715 NPC59033
Intermediate Similarity 0.7149 NPC328154
Intermediate Similarity 0.7143 NPC471014
Intermediate Similarity 0.7143 NPC292416
Intermediate Similarity 0.7143 NPC471016
Intermediate Similarity 0.7143 NPC316841
Intermediate Similarity 0.7143 NPC473689
Intermediate Similarity 0.7143 NPC98715
Intermediate Similarity 0.7143 NPC475596
Intermediate Similarity 0.7143 NPC206343
Intermediate Similarity 0.7143 NPC477908
Intermediate Similarity 0.7143 NPC475408
Intermediate Similarity 0.7143 NPC475303
Intermediate Similarity 0.7137 NPC235364
Intermediate Similarity 0.7137 NPC477911
Intermediate Similarity 0.7136 NPC478158
Intermediate Similarity 0.713 NPC33949
Intermediate Similarity 0.713 NPC264674
Intermediate Similarity 0.7124 NPC477901
Intermediate Similarity 0.7123 NPC225821
Intermediate Similarity 0.7117 NPC87856
Intermediate Similarity 0.7115 NPC472107
Intermediate Similarity 0.7115 NPC79062
Intermediate Similarity 0.7112 NPC244839
Intermediate Similarity 0.7112 NPC319880
Intermediate Similarity 0.7112 NPC320324
Intermediate Similarity 0.7111 NPC294579
Intermediate Similarity 0.7111 NPC144779
Intermediate Similarity 0.711 NPC327592
Intermediate Similarity 0.7109 NPC129909
Intermediate Similarity 0.7105 NPC471980
Intermediate Similarity 0.7103 NPC329024
Intermediate Similarity 0.7101 NPC472434
Intermediate Similarity 0.71 NPC91125
Intermediate Similarity 0.7098 NPC470306
Intermediate Similarity 0.7098 NPC132211
Intermediate Similarity 0.7098 NPC477910
Intermediate Similarity 0.7098 NPC203614
Intermediate Similarity 0.7097 NPC193761
Intermediate Similarity 0.7097 NPC155143
Intermediate Similarity 0.7094 NPC57453
Intermediate Similarity 0.7093 NPC477903
Intermediate Similarity 0.7087 NPC244536
Intermediate Similarity 0.7085 NPC267965
Intermediate Similarity 0.7083 NPC312870
Intermediate Similarity 0.7083 NPC199851
Intermediate Similarity 0.7083 NPC254240
Intermediate Similarity 0.7083 NPC294909
Intermediate Similarity 0.7083 NPC128265
Intermediate Similarity 0.7082 NPC238278
Intermediate Similarity 0.7074 NPC477899
Intermediate Similarity 0.7074 NPC477900
Intermediate Similarity 0.7072 NPC40919
Intermediate Similarity 0.7072 NPC470189
Intermediate Similarity 0.7069 NPC290529
Intermediate Similarity 0.7067 NPC6981
Intermediate Similarity 0.7067 NPC472119
Intermediate Similarity 0.7061 NPC127720
Intermediate Similarity 0.7061 NPC127026
Intermediate Similarity 0.7061 NPC477788
Intermediate Similarity 0.7059 NPC48042
Intermediate Similarity 0.7059 NPC304179
Intermediate Similarity 0.7059 NPC472550

Drug Structure

External Identifiers

TTD  
DrugBank   DB06419
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D02391
PubChem CID  
ChEBI  
CAS Number  205110-48-1

Drug Properties

Molecular Weight  765.42
ALogP  0.4202
MLogP  4.65
XLogP  4.861
HDA  13
HBD  2
Rotatable Bonds  20
TPSA  166.31
RO5 Violation  1