Drug Information

Drug ID:  NPD5483
Drug Name:  
Molecular Formula:  C23H22N2O4
Canonical SMILES:  COCc1c(ncc2c1c1cc(OCc3ccccc3)ccc1[nH]2)C(=O)OCC
Standard InCHI:  InChI=1S/C23H22N2O4/c1-3-28-23(26)22-18(14-27-2)21-17-11-16(29-13-15-7-5-4-6-8-15)9-10-19(17)25-20(21)12-24-22/h4-12,25H,3,13-14H2,1-2H3
Standard InCHIKey:  ALBKMJDFBZVHAK-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD5483

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 0.8789 NPC260434
High Similarity 0.8657 NPC118940
High Similarity 0.8596 NPC15801
High Similarity 0.8565 NPC148889
High Similarity 0.8542 NPC152620
High Similarity 0.8523 NPC53534
Intermediate Similarity 0.8438 NPC122436
Intermediate Similarity 0.8398 NPC101350
Intermediate Similarity 0.8394 NPC123839
Intermediate Similarity 0.8364 NPC476287
Intermediate Similarity 0.8355 NPC235685
Intermediate Similarity 0.8348 NPC60621
Intermediate Similarity 0.8333 NPC258048
Intermediate Similarity 0.8303 NPC266249
Intermediate Similarity 0.8243 NPC477979
Intermediate Similarity 0.8233 NPC176538
Intermediate Similarity 0.8206 NPC36405
Intermediate Similarity 0.819 NPC182222
Intermediate Similarity 0.817 NPC312645
Intermediate Similarity 0.8142 NPC472099
Intermediate Similarity 0.8117 NPC63971
Intermediate Similarity 0.8117 NPC91868
Intermediate Similarity 0.8091 NPC321428
Intermediate Similarity 0.8083 NPC165964
Intermediate Similarity 0.8072 NPC26679
Intermediate Similarity 0.8063 NPC5145
Intermediate Similarity 0.8062 NPC323969
Intermediate Similarity 0.805 NPC473800
Intermediate Similarity 0.8045 NPC300156
Intermediate Similarity 0.8037 NPC476138
Intermediate Similarity 0.8037 NPC245816
Intermediate Similarity 0.8036 NPC39500
Intermediate Similarity 0.8036 NPC89508
Intermediate Similarity 0.8034 NPC39370
Intermediate Similarity 0.8026 NPC280799
Intermediate Similarity 0.8026 NPC469554
Intermediate Similarity 0.8026 NPC207686
Intermediate Similarity 0.8 NPC132539
Intermediate Similarity 0.7991 NPC472098
Intermediate Similarity 0.7983 NPC474688
Intermediate Similarity 0.7982 NPC19872
Intermediate Similarity 0.7974 NPC96321
Intermediate Similarity 0.7965 NPC148183
Intermediate Similarity 0.7965 NPC152768
Intermediate Similarity 0.7958 NPC178858
Intermediate Similarity 0.7957 NPC229893
Intermediate Similarity 0.7949 NPC473186
Intermediate Similarity 0.7937 NPC185782
Intermediate Similarity 0.7934 NPC26543
Intermediate Similarity 0.7913 NPC144452
Intermediate Similarity 0.7902 NPC167860
Intermediate Similarity 0.7902 NPC123976
Intermediate Similarity 0.7895 NPC184408
Intermediate Similarity 0.7892 NPC82548
Intermediate Similarity 0.7883 NPC45190
Intermediate Similarity 0.7872 NPC101543
Intermediate Similarity 0.7872 NPC196718
Intermediate Similarity 0.7867 NPC208284
Intermediate Similarity 0.7864 NPC232727
Intermediate Similarity 0.7854 NPC478078
Intermediate Similarity 0.7854 NPC74619
Intermediate Similarity 0.7821 NPC314954
Intermediate Similarity 0.7821 NPC274640
Intermediate Similarity 0.7797 NPC102593
Intermediate Similarity 0.7793 NPC223427
Intermediate Similarity 0.7793 NPC165599
Intermediate Similarity 0.7793 NPC476098
Intermediate Similarity 0.7792 NPC475844
Intermediate Similarity 0.7791 NPC314222
Intermediate Similarity 0.7791 NPC196449
Intermediate Similarity 0.7788 NPC187501
Intermediate Similarity 0.7783 NPC213530
Intermediate Similarity 0.7783 NPC193267
Intermediate Similarity 0.7778 NPC157931
Intermediate Similarity 0.7778 NPC161801
Intermediate Similarity 0.7773 NPC27041
Intermediate Similarity 0.7768 NPC244741
Intermediate Similarity 0.7758 NPC475070
Intermediate Similarity 0.7758 NPC285558
Intermediate Similarity 0.7754 NPC267853
Intermediate Similarity 0.7748 NPC57398
Intermediate Similarity 0.7745 NPC194740
Intermediate Similarity 0.7745 NPC311906
Intermediate Similarity 0.7743 NPC471304
Intermediate Similarity 0.7735 NPC470018
Intermediate Similarity 0.7731 NPC76748
Intermediate Similarity 0.7729 NPC8022
Intermediate Similarity 0.7729 NPC470799
Intermediate Similarity 0.7722 NPC244897
Intermediate Similarity 0.7722 NPC475720
Intermediate Similarity 0.7722 NPC474192
Intermediate Similarity 0.7709 NPC82370
Intermediate Similarity 0.7706 NPC307963
Intermediate Similarity 0.7706 NPC74360
Intermediate Similarity 0.7706 NPC208084
Intermediate Similarity 0.7699 NPC477549
Intermediate Similarity 0.7696 NPC92111
Intermediate Similarity 0.7692 NPC21638
Intermediate Similarity 0.7689 NPC4687
Intermediate Similarity 0.7689 NPC270918
Intermediate Similarity 0.7686 NPC146976
Intermediate Similarity 0.7686 NPC295452
Intermediate Similarity 0.7686 NPC171393
Intermediate Similarity 0.7685 NPC296527
Intermediate Similarity 0.7682 NPC141454
Intermediate Similarity 0.7672 NPC276657
Intermediate Similarity 0.7672 NPC225279
Intermediate Similarity 0.766 NPC319232
Intermediate Similarity 0.766 NPC24370
Intermediate Similarity 0.7658 NPC315491
Intermediate Similarity 0.7658 NPC45459
Intermediate Similarity 0.7658 NPC213308
Intermediate Similarity 0.7657 NPC316411
Intermediate Similarity 0.7657 NPC97902
Intermediate Similarity 0.7655 NPC287208
Intermediate Similarity 0.765 NPC322482
Intermediate Similarity 0.7647 NPC49547
Intermediate Similarity 0.7642 NPC234078
Intermediate Similarity 0.7642 NPC221100
Intermediate Similarity 0.7642 NPC236668
Intermediate Similarity 0.764 NPC216369
Intermediate Similarity 0.7639 NPC310118
Intermediate Similarity 0.7636 NPC251090
Intermediate Similarity 0.7631 NPC478083
Intermediate Similarity 0.7629 NPC288987
Intermediate Similarity 0.7627 NPC110151
Intermediate Similarity 0.7625 NPC295228
Intermediate Similarity 0.7625 NPC57453
Intermediate Similarity 0.7623 NPC78609
Intermediate Similarity 0.7619 NPC305984
Intermediate Similarity 0.7615 NPC329631
Intermediate Similarity 0.7611 NPC193238
Intermediate Similarity 0.761 NPC191489
Intermediate Similarity 0.7609 NPC118228
Intermediate Similarity 0.7603 NPC475816
Intermediate Similarity 0.7602 NPC267928
Intermediate Similarity 0.7602 NPC156704
Intermediate Similarity 0.7593 NPC472061
Intermediate Similarity 0.7588 NPC470020
Intermediate Similarity 0.7586 NPC46561
Intermediate Similarity 0.7586 NPC473041
Intermediate Similarity 0.7581 NPC284678
Intermediate Similarity 0.7568 NPC67288
Intermediate Similarity 0.7564 NPC198503
Intermediate Similarity 0.7559 NPC100734
Intermediate Similarity 0.7559 NPC315634
Intermediate Similarity 0.7559 NPC88923
Intermediate Similarity 0.7555 NPC87413
Intermediate Similarity 0.7553 NPC192712
Intermediate Similarity 0.7553 NPC74575
Intermediate Similarity 0.7553 NPC257851
Intermediate Similarity 0.7551 NPC208522
Intermediate Similarity 0.7544 NPC174758
Intermediate Similarity 0.7544 NPC174672
Intermediate Similarity 0.7543 NPC169402
Intermediate Similarity 0.7542 NPC323752
Intermediate Similarity 0.7542 NPC141053
Intermediate Similarity 0.7533 NPC249583
Intermediate Similarity 0.7533 NPC88008
Intermediate Similarity 0.7532 NPC216612
Intermediate Similarity 0.7531 NPC315062
Intermediate Similarity 0.7531 NPC474701
Intermediate Similarity 0.7522 NPC470500
Intermediate Similarity 0.7521 NPC184680
Intermediate Similarity 0.7511 NPC309845
Intermediate Similarity 0.751 NPC316224
Intermediate Similarity 0.75 NPC322064
Intermediate Similarity 0.75 NPC477066
Intermediate Similarity 0.75 NPC469928
Intermediate Similarity 0.75 NPC51388
Intermediate Similarity 0.75 NPC284685
Intermediate Similarity 0.75 NPC315957
Intermediate Similarity 0.749 NPC17437
Intermediate Similarity 0.749 NPC470785
Intermediate Similarity 0.7489 NPC266931
Intermediate Similarity 0.7479 NPC292958
Intermediate Similarity 0.7469 NPC478082
Intermediate Similarity 0.7469 NPC478081
Intermediate Similarity 0.7469 NPC477067
Intermediate Similarity 0.7469 NPC180504
Intermediate Similarity 0.7468 NPC179287
Intermediate Similarity 0.7468 NPC472285
Intermediate Similarity 0.7467 NPC472070
Intermediate Similarity 0.7457 NPC474412
Intermediate Similarity 0.7457 NPC16066
Intermediate Similarity 0.7457 NPC116238
Intermediate Similarity 0.7455 NPC123395
Intermediate Similarity 0.745 NPC472435
Intermediate Similarity 0.7449 NPC6786
Intermediate Similarity 0.7448 NPC471762
Intermediate Similarity 0.7446 NPC94157
Intermediate Similarity 0.7446 NPC264176
Intermediate Similarity 0.7439 NPC142385
Intermediate Similarity 0.7438 NPC253675
Intermediate Similarity 0.7436 NPC303658
Intermediate Similarity 0.7431 NPC478006
Intermediate Similarity 0.7418 NPC470784
Intermediate Similarity 0.7407 NPC470017
Intermediate Similarity 0.7404 NPC168209
Intermediate Similarity 0.7401 NPC475774

Drug Structure

External Identifiers

TTD   DNC011521
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   121926
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  390.16
ALogP  -0.3415
MLogP  3.33
XLogP  4.592
HDA  5
HBD  1
Rotatable Bonds  10
TPSA  73.44
RO5 Violation  0