Drug Information

Drug ID:  NPD4598
Drug Name:  [18F]Florbetaben
Molecular Formula:  C21H26FNO3
Canonical SMILES:  [18F]CCOCCOCCOc1ccc(cc1)/C=C/c1ccc(cc1)NC
Standard InCHI:  InChI=1S/C21H26FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h2-11,23H,12-17H2,1H3/b3-2+/i22-1
Standard InCHIKey:  NCWZOASIUQVOFA-FWZJPQCDSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD4598

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 0.7842 NPC328267
Intermediate Similarity 0.7426 NPC26524
Intermediate Similarity 0.726 NPC172403
Intermediate Similarity 0.7256 NPC471652
Intermediate Similarity 0.725 NPC315257
Intermediate Similarity 0.7241 NPC320242
Intermediate Similarity 0.7222 NPC217277
Intermediate Similarity 0.7183 NPC263835
Intermediate Similarity 0.717 NPC13397
Intermediate Similarity 0.716 NPC285941
Intermediate Similarity 0.7153 NPC298486
Intermediate Similarity 0.7113 NPC256369
Intermediate Similarity 0.7092 NPC323948
Intermediate Similarity 0.7091 NPC24954
Intermediate Similarity 0.709 NPC42383
Intermediate Similarity 0.7083 NPC73280
Intermediate Similarity 0.7059 NPC97811
Intermediate Similarity 0.7059 NPC253429
Intermediate Similarity 0.7039 NPC237227
Intermediate Similarity 0.702 NPC160692
Intermediate Similarity 0.7007 NPC141739
Intermediate Similarity 0.7007 NPC136112
Intermediate Similarity 0.7 NPC60538
Intermediate Similarity 0.7 NPC207824
Remote Similarity 0.6988 NPC299582
Remote Similarity 0.6977 NPC283810
Remote Similarity 0.6968 NPC314113
Remote Similarity 0.6966 NPC79213
Remote Similarity 0.6957 NPC226914
Remote Similarity 0.6954 NPC97870
Remote Similarity 0.6954 NPC307123
Remote Similarity 0.6954 NPC247018
Remote Similarity 0.6948 NPC318591
Remote Similarity 0.6948 NPC231163
Remote Similarity 0.6944 NPC41801
Remote Similarity 0.6936 NPC190461
Remote Similarity 0.6923 NPC471604
Remote Similarity 0.6914 NPC76213
Remote Similarity 0.6914 NPC277669
Remote Similarity 0.691 NPC475411
Remote Similarity 0.6909 NPC93653
Remote Similarity 0.6906 NPC314948
Remote Similarity 0.6897 NPC318357
Remote Similarity 0.6892 NPC250476
Remote Similarity 0.6879 NPC85613
Remote Similarity 0.6875 NPC33902
Remote Similarity 0.6875 NPC276674
Remote Similarity 0.6871 NPC315632
Remote Similarity 0.6871 NPC203424
Remote Similarity 0.6871 NPC206372
Remote Similarity 0.6867 NPC471306
Remote Similarity 0.6867 NPC471321
Remote Similarity 0.6859 NPC189724
Remote Similarity 0.6859 NPC83289
Remote Similarity 0.6859 NPC314682
Remote Similarity 0.6859 NPC212850
Remote Similarity 0.6853 NPC120075
Remote Similarity 0.6848 NPC203784
Remote Similarity 0.6848 NPC126519
Remote Similarity 0.6848 NPC170503
Remote Similarity 0.6845 NPC475393
Remote Similarity 0.6842 NPC118419
Remote Similarity 0.6842 NPC312872
Remote Similarity 0.6839 NPC476475
Remote Similarity 0.6831 NPC303370
Remote Similarity 0.6829 NPC477564
Remote Similarity 0.6829 NPC2295
Remote Similarity 0.6828 NPC321133
Remote Similarity 0.6818 NPC249405
Remote Similarity 0.6815 NPC213206
Remote Similarity 0.6815 NPC474915
Remote Similarity 0.6815 NPC188163
Remote Similarity 0.6815 NPC328750
Remote Similarity 0.6815 NPC323204
Remote Similarity 0.6815 NPC476462
Remote Similarity 0.6813 NPC478049
Remote Similarity 0.6809 NPC264782
Remote Similarity 0.6802 NPC473432
Remote Similarity 0.6797 NPC266425
Remote Similarity 0.6782 NPC70092
Remote Similarity 0.6782 NPC5167
Remote Similarity 0.6781 NPC83279
Remote Similarity 0.6776 NPC72211
Remote Similarity 0.6759 NPC43275
Remote Similarity 0.6743 NPC288305
Remote Similarity 0.6739 NPC212163
Remote Similarity 0.6739 NPC186469
Remote Similarity 0.6733 NPC218323
Remote Similarity 0.6732 NPC471953
Remote Similarity 0.673 NPC260601
Remote Similarity 0.6727 NPC10730
Remote Similarity 0.6727 NPC10875
Remote Similarity 0.6716 NPC471576
Remote Similarity 0.6711 NPC262641
Remote Similarity 0.6711 NPC160193
Remote Similarity 0.6711 NPC231382
Remote Similarity 0.671 NPC11147
Remote Similarity 0.6709 NPC204546
Remote Similarity 0.6707 NPC26872
Remote Similarity 0.6704 NPC320088
Remote Similarity 0.6703 NPC243626
Remote Similarity 0.6703 NPC25897
Remote Similarity 0.6703 NPC230313
Remote Similarity 0.6691 NPC192596
Remote Similarity 0.6689 NPC471315
Remote Similarity 0.6689 NPC471314
Remote Similarity 0.6687 NPC26850
Remote Similarity 0.6687 NPC187022
Remote Similarity 0.6687 NPC294249
Remote Similarity 0.6687 NPC80129
Remote Similarity 0.6687 NPC247298
Remote Similarity 0.6686 NPC287588
Remote Similarity 0.6686 NPC70172
Remote Similarity 0.6667 NPC313466
Remote Similarity 0.6667 NPC312531
Remote Similarity 0.6667 NPC70259
Remote Similarity 0.6667 NPC474059
Remote Similarity 0.6667 NPC295676
Remote Similarity 0.6667 NPC258992
Remote Similarity 0.6667 NPC21890
Remote Similarity 0.6648 NPC471825
Remote Similarity 0.6647 NPC124433
Remote Similarity 0.6647 NPC301163
Remote Similarity 0.6647 NPC293871
Remote Similarity 0.6646 NPC185838
Remote Similarity 0.6646 NPC47672
Remote Similarity 0.6645 NPC173295
Remote Similarity 0.6644 NPC211218
Remote Similarity 0.6644 NPC255253
Remote Similarity 0.663 NPC22476
Remote Similarity 0.6628 NPC471648
Remote Similarity 0.6627 NPC292143
Remote Similarity 0.6627 NPC233926
Remote Similarity 0.6627 NPC156311
Remote Similarity 0.6627 NPC139506
Remote Similarity 0.6626 NPC76412
Remote Similarity 0.6625 NPC128019
Remote Similarity 0.6625 NPC136860
Remote Similarity 0.6625 NPC78530
Remote Similarity 0.6625 NPC476567
Remote Similarity 0.6624 NPC193528
Remote Similarity 0.6623 NPC274732
Remote Similarity 0.6623 NPC301713
Remote Similarity 0.6622 NPC211992
Remote Similarity 0.6619 NPC258171
Remote Similarity 0.6618 NPC51633
Remote Similarity 0.6612 NPC205934
Remote Similarity 0.6612 NPC43787
Remote Similarity 0.6609 NPC108434
Remote Similarity 0.6609 NPC475215
Remote Similarity 0.6609 NPC168153
Remote Similarity 0.6607 NPC235628
Remote Similarity 0.6607 NPC306366
Remote Similarity 0.6605 NPC245974
Remote Similarity 0.6604 NPC470925
Remote Similarity 0.6601 NPC473987
Remote Similarity 0.66 NPC62101
Remote Similarity 0.66 NPC95733
Remote Similarity 0.6596 NPC162484
Remote Similarity 0.6594 NPC470393
Remote Similarity 0.6588 NPC204179
Remote Similarity 0.6587 NPC93593
Remote Similarity 0.6582 NPC36434
Remote Similarity 0.6578 NPC111492
Remote Similarity 0.6575 NPC474904
Remote Similarity 0.6573 NPC179704
Remote Similarity 0.6571 NPC283152
Remote Similarity 0.6571 NPC146530
Remote Similarity 0.657 NPC35627
Remote Similarity 0.657 NPC81247
Remote Similarity 0.657 NPC86144
Remote Similarity 0.657 NPC476573
Remote Similarity 0.657 NPC304659
Remote Similarity 0.6568 NPC177404
Remote Similarity 0.6564 NPC16107
Remote Similarity 0.6564 NPC253883
Remote Similarity 0.6564 NPC321505
Remote Similarity 0.6564 NPC210437
Remote Similarity 0.6564 NPC106295
Remote Similarity 0.6564 NPC95075
Remote Similarity 0.6564 NPC90844
Remote Similarity 0.6564 NPC476151
Remote Similarity 0.6564 NPC144863
Remote Similarity 0.6564 NPC191376
Remote Similarity 0.6564 NPC476144
Remote Similarity 0.6564 NPC179825
Remote Similarity 0.6564 NPC51957
Remote Similarity 0.6561 NPC156728
Remote Similarity 0.6561 NPC244606
Remote Similarity 0.6559 NPC241263
Remote Similarity 0.6556 NPC29477
Remote Similarity 0.6556 NPC318965
Remote Similarity 0.655 NPC314861
Remote Similarity 0.6548 NPC25084
Remote Similarity 0.6548 NPC247639
Remote Similarity 0.6543 NPC130926
Remote Similarity 0.6543 NPC475112
Remote Similarity 0.6543 NPC291535
Remote Similarity 0.6543 NPC475085
Remote Similarity 0.6541 NPC243834

Drug Structure

External Identifiers

TTD  
DrugBank   DB09148
ChEMBL   CHEMBL566752
IUPHAR/BPS   7769
PharmaGKB  
KEGG Drug   D10002
PubChem CID  
ChEBI   79033
CAS Number  902143-01-5

Drug Properties

Molecular Weight  359.19
ALogP  0.2367
MLogP  3.22
XLogP  5.7
HDA  3
HBD  1
Rotatable Bonds  14
TPSA  39.72
RO5 Violation  2