Drug Information

Drug ID:  NPD7393
Drug Name:  
Molecular Formula:  C30H22N4O4
Canonical SMILES:  O=C(N1C[C@@H]2[C@]3(C1=CC(=O)c1c3c(C)c[nH]1)C2)c1[nH]c2c(c1)cc(cc2)NC(=O)c1cc2c(o1)cccc2
Standard InCHI:  InChI=1S/C30H22N4O4/c1-15-13-31-27-22(35)11-25-30(26(15)27)12-18(30)14-34(25)29(37)21-9-17-8-19(6-7-20(17)33-21)32-28(36)24-10-16-4-2-3-5-23(16)38-24/h2-11,13,18,31,33H,12,14H2,1H3,(H,32,36)/t18-,30+/m1/s1
Standard InCHIKey:  BYRVKDUQDLJUBX-JJCDCTGGSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD7393

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 NPC102593
Intermediate Similarity 0.7951 NPC196718
Intermediate Similarity 0.787 NPC315499
Intermediate Similarity 0.772 NPC101350
Intermediate Similarity 0.7683 NPC258048
Intermediate Similarity 0.768 NPC235685
Intermediate Similarity 0.768 NPC15801
Intermediate Similarity 0.7672 NPC152620
Intermediate Similarity 0.7667 NPC36405
Intermediate Similarity 0.7613 NPC323969
Intermediate Similarity 0.754 NPC194740
Intermediate Similarity 0.751 NPC53534
Intermediate Similarity 0.7391 NPC325976
Intermediate Similarity 0.7384 NPC260900
Intermediate Similarity 0.7366 NPC244543
Intermediate Similarity 0.7364 NPC78609
Intermediate Similarity 0.7331 NPC74413
Intermediate Similarity 0.7328 NPC276657
Intermediate Similarity 0.7312 NPC207686
Intermediate Similarity 0.7309 NPC122436
Intermediate Similarity 0.7284 NPC82370
Intermediate Similarity 0.728 NPC63971
Intermediate Similarity 0.728 NPC91868
Intermediate Similarity 0.7273 NPC267853
Intermediate Similarity 0.7273 NPC260434
Intermediate Similarity 0.7255 NPC316411
Intermediate Similarity 0.7252 NPC26543
Intermediate Similarity 0.7252 NPC165964
Intermediate Similarity 0.7244 NPC244897
Intermediate Similarity 0.7233 NPC326363
Intermediate Similarity 0.7216 NPC323752
Intermediate Similarity 0.7208 NPC317701
Intermediate Similarity 0.7206 NPC305984
Intermediate Similarity 0.7206 NPC27041
Intermediate Similarity 0.7205 NPC315062
Intermediate Similarity 0.7188 NPC39370
Intermediate Similarity 0.7181 NPC148889
Intermediate Similarity 0.7177 NPC303658
Intermediate Similarity 0.7176 NPC473186
Intermediate Similarity 0.7171 NPC131486
Intermediate Similarity 0.7171 NPC229893
Intermediate Similarity 0.7166 NPC322064
Intermediate Similarity 0.7155 NPC252338
Intermediate Similarity 0.7154 NPC192712
Intermediate Similarity 0.7149 NPC168209
Intermediate Similarity 0.7148 NPC141053
Intermediate Similarity 0.7132 NPC240384
Intermediate Similarity 0.7132 NPC184680
Intermediate Similarity 0.7126 NPC477979
Intermediate Similarity 0.7115 NPC24370
Intermediate Similarity 0.7115 NPC319232
Intermediate Similarity 0.7114 NPC118940
Intermediate Similarity 0.7104 NPC470785
Intermediate Similarity 0.7101 NPC227582
Intermediate Similarity 0.708 NPC288987
Intermediate Similarity 0.7063 NPC243633
Intermediate Similarity 0.7063 NPC175150
Intermediate Similarity 0.7061 NPC142385
Intermediate Similarity 0.7059 NPC66777
Intermediate Similarity 0.7059 NPC56109
Intermediate Similarity 0.7059 NPC191382
Intermediate Similarity 0.7056 NPC474412
Intermediate Similarity 0.7056 NPC478157
Intermediate Similarity 0.704 NPC264285
Intermediate Similarity 0.7038 NPC470784
Intermediate Similarity 0.7036 NPC314222
Intermediate Similarity 0.7036 NPC196449
Intermediate Similarity 0.7034 NPC476460
Intermediate Similarity 0.703 NPC133609
Intermediate Similarity 0.7028 NPC152768
Intermediate Similarity 0.7028 NPC170114
Intermediate Similarity 0.7028 NPC148183
Intermediate Similarity 0.7024 NPC280799
Intermediate Similarity 0.7023 NPC72905
Intermediate Similarity 0.702 NPC478078
Intermediate Similarity 0.702 NPC157931
Intermediate Similarity 0.7012 NPC269270
Intermediate Similarity 0.701 NPC9482
Intermediate Similarity 0.7 NPC184225
Intermediate Similarity 0.7 NPC67288
Remote Similarity 0.6996 NPC155444
Remote Similarity 0.6996 NPC16352
Remote Similarity 0.6992 NPC471762
Remote Similarity 0.6992 NPC314954
Remote Similarity 0.6992 NPC162860
Remote Similarity 0.6989 NPC478083
Remote Similarity 0.6988 NPC470549
Remote Similarity 0.6984 NPC14686
Remote Similarity 0.698 NPC54420
Remote Similarity 0.6977 NPC49547
Remote Similarity 0.6966 NPC137353
Remote Similarity 0.6962 NPC477549
Remote Similarity 0.6953 NPC257851
Remote Similarity 0.6943 NPC178858
Remote Similarity 0.694 NPC189079
Remote Similarity 0.694 NPC153400
Remote Similarity 0.6935 NPC104712
Remote Similarity 0.6932 NPC472285
Remote Similarity 0.6929 NPC171317
Remote Similarity 0.6929 NPC216612
Remote Similarity 0.6926 NPC311906
Remote Similarity 0.6923 NPC478158
Remote Similarity 0.6923 NPC182222
Remote Similarity 0.6923 NPC253675
Remote Similarity 0.692 NPC116701
Remote Similarity 0.6917 NPC272174
Remote Similarity 0.6914 NPC470018
Remote Similarity 0.6908 NPC110182
Remote Similarity 0.6906 NPC208522
Remote Similarity 0.6905 NPC477714
Remote Similarity 0.6904 NPC304203
Remote Similarity 0.6895 NPC123839
Remote Similarity 0.689 NPC198503
Remote Similarity 0.6885 NPC180504
Remote Similarity 0.6885 NPC70155
Remote Similarity 0.6883 NPC266249
Remote Similarity 0.688 NPC72715
Remote Similarity 0.6875 NPC74619
Remote Similarity 0.6875 NPC476818
Remote Similarity 0.6873 NPC474688
Remote Similarity 0.687 NPC28945
Remote Similarity 0.687 NPC285343
Remote Similarity 0.686 NPC131887
Remote Similarity 0.6855 NPC174672
Remote Similarity 0.6855 NPC61038
Remote Similarity 0.6854 NPC17437
Remote Similarity 0.6854 NPC161801
Remote Similarity 0.6852 NPC314882
Remote Similarity 0.685 NPC472099
Remote Similarity 0.685 NPC185197
Remote Similarity 0.6846 NPC101543
Remote Similarity 0.6846 NPC279189
Remote Similarity 0.6846 NPC200553
Remote Similarity 0.6846 NPC469554
Remote Similarity 0.6842 NPC270918
Remote Similarity 0.6838 NPC63109
Remote Similarity 0.6836 NPC322482
Remote Similarity 0.683 NPC473540
Remote Similarity 0.6824 NPC474896
Remote Similarity 0.6824 NPC60621
Remote Similarity 0.6822 NPC74575
Remote Similarity 0.6822 NPC476491
Remote Similarity 0.682 NPC329631
Remote Similarity 0.682 NPC220852
Remote Similarity 0.6818 NPC475816
Remote Similarity 0.6815 NPC287208
Remote Similarity 0.6815 NPC207620
Remote Similarity 0.6813 NPC236668
Remote Similarity 0.6813 NPC216369
Remote Similarity 0.6813 NPC476287
Remote Similarity 0.6813 NPC478006
Remote Similarity 0.6809 NPC21638
Remote Similarity 0.6808 NPC475969
Remote Similarity 0.6808 NPC475859
Remote Similarity 0.6808 NPC474877
Remote Similarity 0.6806 NPC472061
Remote Similarity 0.6802 NPC175602
Remote Similarity 0.6798 NPC477715
Remote Similarity 0.6797 NPC144452
Remote Similarity 0.6797 NPC31097
Remote Similarity 0.6792 NPC169716
Remote Similarity 0.679 NPC329982
Remote Similarity 0.6789 NPC475774
Remote Similarity 0.6786 NPC146976
Remote Similarity 0.6786 NPC50562
Remote Similarity 0.6784 NPC225279
Remote Similarity 0.6783 NPC475338
Remote Similarity 0.6783 NPC909
Remote Similarity 0.6779 NPC81939
Remote Similarity 0.6778 NPC14812
Remote Similarity 0.6776 NPC471944
Remote Similarity 0.6775 NPC132385
Remote Similarity 0.6773 NPC219087
Remote Similarity 0.6773 NPC473493
Remote Similarity 0.6772 NPC281049
Remote Similarity 0.6769 NPC477175
Remote Similarity 0.6769 NPC477176
Remote Similarity 0.6769 NPC470730
Remote Similarity 0.6769 NPC470729
Remote Similarity 0.6768 NPC162002
Remote Similarity 0.6767 NPC478081
Remote Similarity 0.6766 NPC270515
Remote Similarity 0.6765 NPC85879
Remote Similarity 0.6765 NPC53255
Remote Similarity 0.6765 NPC303374
Remote Similarity 0.6763 NPC326422
Remote Similarity 0.6763 NPC478010
Remote Similarity 0.6761 NPC132539
Remote Similarity 0.6761 NPC285558
Remote Similarity 0.676 NPC167860
Remote Similarity 0.676 NPC123976
Remote Similarity 0.6759 NPC67658
Remote Similarity 0.6757 NPC475258
Remote Similarity 0.6756 NPC63279
Remote Similarity 0.6754 NPC475666
Remote Similarity 0.675 NPC92111
Remote Similarity 0.6747 NPC82548
Remote Similarity 0.6746 NPC207866
Remote Similarity 0.6746 NPC39500
Remote Similarity 0.6745 NPC74360

Drug Structure

External Identifiers

TTD   DIB003605
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  502.16
ALogP  -2.3151
MLogP  3.88
XLogP  3.911
HDA  7
HBD  3
Rotatable Bonds  6
TPSA  111.2
RO5 Violation  0