Drug Information

Drug ID:  NPD2981
Drug Name:  Fosbretabulin Disodium
Molecular Formula:  C18H21O8P.2Na
Canonical SMILES:  COc1cc(/C=Cc2ccc(c(c2)OP(=O)([O-])[O-])OC)cc(c1OC)OC.[Na+].[Na+]
Standard InCHI:  InChI=1S/C18H21O8P.2Na/c1-22-14-8-7-12(9-15(14)26-27(19,20)21)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3;;/h5-11H,1-4H3,(H2,19,20,21);;/q;2*+1/p-2/b6-5-;;
Standard InCHIKey:  VXNQMUVMEIGUJW-XNOMRPDFSA-L
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2981

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 0.9391 NPC123948
High Similarity 0.9153 NPC475961
High Similarity 0.9153 NPC254625
High Similarity 0.9 NPC472596
High Similarity 0.9 NPC166759
High Similarity 0.8957 NPC203924
High Similarity 0.8926 NPC477886
High Similarity 0.8917 NPC474565
High Similarity 0.8852 NPC71579
High Similarity 0.8852 NPC473411
High Similarity 0.8852 NPC262253
High Similarity 0.8852 NPC261661
High Similarity 0.8833 NPC15805
High Similarity 0.8803 NPC204120
High Similarity 0.8783 NPC165386
High Similarity 0.8783 NPC82016
High Similarity 0.878 NPC282496
High Similarity 0.878 NPC233526
High Similarity 0.8696 NPC245115
High Similarity 0.864 NPC117214
High Similarity 0.864 NPC208950
High Similarity 0.864 NPC475169
High Similarity 0.864 NPC298757
High Similarity 0.864 NPC221077
High Similarity 0.864 NPC116907
High Similarity 0.864 NPC57490
High Similarity 0.864 NPC251855
High Similarity 0.864 NPC17943
High Similarity 0.864 NPC265483
High Similarity 0.864 NPC299584
High Similarity 0.864 NPC233410
High Similarity 0.864 NPC82483
High Similarity 0.864 NPC472093
High Similarity 0.864 NPC203133
High Similarity 0.864 NPC105925
High Similarity 0.864 NPC193544
High Similarity 0.8618 NPC75713
High Similarity 0.8609 NPC35543
High Similarity 0.8607 NPC232084
High Similarity 0.8607 NPC61516
High Similarity 0.8607 NPC247364
High Similarity 0.8607 NPC10932
High Similarity 0.8583 NPC474623
High Similarity 0.8583 NPC474651
High Similarity 0.8571 NPC112571
High Similarity 0.8571 NPC78974
High Similarity 0.8571 NPC244364
High Similarity 0.8571 NPC50683
High Similarity 0.8571 NPC18924
High Similarity 0.8571 NPC214406
High Similarity 0.8571 NPC28730
High Similarity 0.8571 NPC285725
High Similarity 0.8571 NPC103823
High Similarity 0.8571 NPC223136
High Similarity 0.8571 NPC44748
High Similarity 0.8537 NPC199023
High Similarity 0.8525 NPC226629
High Similarity 0.8525 NPC308217
High Similarity 0.8512 NPC52464
High Similarity 0.8512 NPC304208
High Similarity 0.8504 NPC127587
High Similarity 0.8504 NPC293054
High Similarity 0.8504 NPC159968
High Similarity 0.8504 NPC169474
High Similarity 0.8504 NPC210355
High Similarity 0.8504 NPC242032
High Similarity 0.8504 NPC324112
High Similarity 0.8504 NPC124452
High Similarity 0.8504 NPC74817
High Similarity 0.8504 NPC246620
High Similarity 0.8504 NPC282000
High Similarity 0.8504 NPC82679
High Similarity 0.8504 NPC194841
High Similarity 0.8504 NPC236791
High Similarity 0.8504 NPC474119
Intermediate Similarity 0.8492 NPC60885
Intermediate Similarity 0.8492 NPC234400
Intermediate Similarity 0.848 NPC136319
Intermediate Similarity 0.848 NPC228922
Intermediate Similarity 0.848 NPC197757
Intermediate Similarity 0.848 NPC95168
Intermediate Similarity 0.8455 NPC222175
Intermediate Similarity 0.845 NPC79184
Intermediate Similarity 0.845 NPC307042
Intermediate Similarity 0.8443 NPC63083
Intermediate Similarity 0.8438 NPC98631
Intermediate Similarity 0.8438 NPC222127
Intermediate Similarity 0.8438 NPC210674
Intermediate Similarity 0.8438 NPC82862
Intermediate Similarity 0.8438 NPC281864
Intermediate Similarity 0.8438 NPC54321
Intermediate Similarity 0.8438 NPC206615
Intermediate Similarity 0.8438 NPC31707
Intermediate Similarity 0.8438 NPC186843
Intermediate Similarity 0.8438 NPC328682
Intermediate Similarity 0.8438 NPC470213
Intermediate Similarity 0.8425 NPC186845
Intermediate Similarity 0.8425 NPC76451
Intermediate Similarity 0.8425 NPC88297
Intermediate Similarity 0.8425 NPC9891
Intermediate Similarity 0.8425 NPC223953
Intermediate Similarity 0.8417 NPC180508
Intermediate Similarity 0.8417 NPC228287
Intermediate Similarity 0.84 NPC41562
Intermediate Similarity 0.84 NPC288238
Intermediate Similarity 0.839 NPC2682
Intermediate Similarity 0.8385 NPC473412
Intermediate Similarity 0.8385 NPC30043
Intermediate Similarity 0.8385 NPC469625
Intermediate Similarity 0.8385 NPC469613
Intermediate Similarity 0.8385 NPC469698
Intermediate Similarity 0.8385 NPC470095
Intermediate Similarity 0.8385 NPC470096
Intermediate Similarity 0.8372 NPC218856
Intermediate Similarity 0.8372 NPC58164
Intermediate Similarity 0.8372 NPC476968
Intermediate Similarity 0.8372 NPC273295
Intermediate Similarity 0.8372 NPC285339
Intermediate Similarity 0.8372 NPC10225
Intermediate Similarity 0.8372 NPC170844
Intermediate Similarity 0.8372 NPC222004
Intermediate Similarity 0.8372 NPC226788
Intermediate Similarity 0.8372 NPC190629
Intermediate Similarity 0.8372 NPC3439
Intermediate Similarity 0.8372 NPC470633
Intermediate Similarity 0.8372 NPC228769
Intermediate Similarity 0.8372 NPC474227
Intermediate Similarity 0.8372 NPC469963
Intermediate Similarity 0.8372 NPC469951
Intermediate Similarity 0.8372 NPC470258
Intermediate Similarity 0.8372 NPC210623
Intermediate Similarity 0.8372 NPC202582
Intermediate Similarity 0.8361 NPC259638
Intermediate Similarity 0.8361 NPC33271
Intermediate Similarity 0.8359 NPC473092
Intermediate Similarity 0.8359 NPC8050
Intermediate Similarity 0.8359 NPC471986
Intermediate Similarity 0.8359 NPC473093
Intermediate Similarity 0.8359 NPC202904
Intermediate Similarity 0.8359 NPC189248
Intermediate Similarity 0.8333 NPC165106
Intermediate Similarity 0.8333 NPC108545
Intermediate Similarity 0.8321 NPC184447
Intermediate Similarity 0.8321 NPC35932
Intermediate Similarity 0.8321 NPC16208
Intermediate Similarity 0.8321 NPC160991
Intermediate Similarity 0.8321 NPC7903
Intermediate Similarity 0.832 NPC145780
Intermediate Similarity 0.8308 NPC311680
Intermediate Similarity 0.8308 NPC224157
Intermediate Similarity 0.8308 NPC469614
Intermediate Similarity 0.8308 NPC126836
Intermediate Similarity 0.8308 NPC299221
Intermediate Similarity 0.8308 NPC476399
Intermediate Similarity 0.8308 NPC472338
Intermediate Similarity 0.8308 NPC63574
Intermediate Similarity 0.8308 NPC234488
Intermediate Similarity 0.8308 NPC192687
Intermediate Similarity 0.8308 NPC51840
Intermediate Similarity 0.8308 NPC469612
Intermediate Similarity 0.8306 NPC229401
Intermediate Similarity 0.8295 NPC154866
Intermediate Similarity 0.8295 NPC283114
Intermediate Similarity 0.8295 NPC28765
Intermediate Similarity 0.8295 NPC149008
Intermediate Similarity 0.8295 NPC207702
Intermediate Similarity 0.8293 NPC474612
Intermediate Similarity 0.8279 NPC193067
Intermediate Similarity 0.8268 NPC122792
Intermediate Similarity 0.8268 NPC228972
Intermediate Similarity 0.8268 NPC5796
Intermediate Similarity 0.8268 NPC206487
Intermediate Similarity 0.8254 NPC194626
Intermediate Similarity 0.8254 NPC270326
Intermediate Similarity 0.825 NPC280606
Intermediate Similarity 0.8244 NPC192255
Intermediate Similarity 0.8244 NPC474238
Intermediate Similarity 0.8244 NPC149337
Intermediate Similarity 0.8244 NPC471983
Intermediate Similarity 0.8244 NPC474017
Intermediate Similarity 0.8244 NPC472597
Intermediate Similarity 0.8231 NPC212015
Intermediate Similarity 0.8231 NPC190144
Intermediate Similarity 0.8226 NPC20674
Intermediate Similarity 0.8226 NPC119949
Intermediate Similarity 0.8217 NPC252131
Intermediate Similarity 0.8217 NPC236760
Intermediate Similarity 0.8217 NPC470699
Intermediate Similarity 0.8217 NPC266555
Intermediate Similarity 0.8211 NPC474933
Intermediate Similarity 0.8197 NPC47194
Intermediate Similarity 0.8197 NPC473264
Intermediate Similarity 0.8197 NPC475815
Intermediate Similarity 0.8195 NPC310854
Intermediate Similarity 0.8195 NPC474600
Intermediate Similarity 0.8195 NPC309744
Intermediate Similarity 0.8195 NPC170694
Intermediate Similarity 0.8189 NPC121115
Intermediate Similarity 0.8189 NPC84086
Intermediate Similarity 0.8182 NPC253105

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  394.08
ALogP  -1.4911
MLogP  2.45
XLogP  2.146
HDA  3
HBD  0
Rotatable Bonds  14
TPSA  119.15
RO5 Violation  0