Drug Information

Drug ID:  NPD8096
Drug Name:  Talaporfin Sodium
Molecular Formula:  C38H41N5O9.4Na
Canonical SMILES:  CCC1=C(C)C2=N/C/1=Cc1[nH]c(c(c1C)C(=O)O)/C(=C/1N=C(/C=c/3[nH]/c(=C2)/c(C=C)c3C)[C@H]([C@@H]1CCC(=O)[O-])C)/CC(=N[C@H](C(=O)[O-])CC(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]
Standard InCHI:  InChI=1S/C38H41N5O9.4Na/c1-7-20-16(3)24-12-26-18(5)22(9-10-32(45)46)35(42-26)23(11-31(44)41-30(37(49)50)15-33(47)48)36-34(38(51)52)19(6)27(43-36)14-29-21(8-2)17(4)25(40-29)13-28(20)39-24;;;;/h7,12-14,18,22,30,39,43H,1,8-11,15H2,2-6H3,(H,41,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52);;;;/q;4*+1/p-4/b24-12-,25-13-,26-12-,27-14-,28-13-,29-14-,35-23-,36-23-;;;;/t18-,22-,30-;;;;/m0..../s1
Standard InCHIKey:  KPALSRNVSRWOPA-YJFNSWLASA-J
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8096

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 0.8856 NPC85702
High Similarity 0.8711 NPC195457
High Similarity 0.8706 NPC473493
High Similarity 0.8607 NPC187255
Intermediate Similarity 0.8458 NPC257175
Intermediate Similarity 0.8443 NPC268676
Intermediate Similarity 0.8443 NPC27324
Intermediate Similarity 0.8287 NPC475619
Intermediate Similarity 0.8 NPC287795
Intermediate Similarity 0.7857 NPC82370
Intermediate Similarity 0.7708 NPC46359
Intermediate Similarity 0.7656 NPC326479
Intermediate Similarity 0.7546 NPC36405
Intermediate Similarity 0.7512 NPC469743
Intermediate Similarity 0.75 NPC26491
Intermediate Similarity 0.7488 NPC141454
Intermediate Similarity 0.7466 NPC229893
Intermediate Similarity 0.7452 NPC131887
Intermediate Similarity 0.7402 NPC221873
Intermediate Similarity 0.7358 NPC165599
Intermediate Similarity 0.7353 NPC278434
Intermediate Similarity 0.7346 NPC471944
Intermediate Similarity 0.7336 NPC244741
Intermediate Similarity 0.7336 NPC15801
Intermediate Similarity 0.7294 NPC31700
Intermediate Similarity 0.7286 NPC67288
Intermediate Similarity 0.7273 NPC312645
Intermediate Similarity 0.7273 NPC472285
Intermediate Similarity 0.7257 NPC33949
Intermediate Similarity 0.7251 NPC293917
Intermediate Similarity 0.7233 NPC321708
Intermediate Similarity 0.7215 NPC89508
Intermediate Similarity 0.7205 NPC70155
Intermediate Similarity 0.7204 NPC306376
Intermediate Similarity 0.7191 NPC178858
Intermediate Similarity 0.7175 NPC276657
Intermediate Similarity 0.7163 NPC132539
Intermediate Similarity 0.7162 NPC264285
Intermediate Similarity 0.715 NPC476073
Intermediate Similarity 0.7149 NPC74969
Intermediate Similarity 0.7143 NPC474896
Intermediate Similarity 0.7136 NPC160381
Intermediate Similarity 0.7124 NPC476818
Intermediate Similarity 0.7118 NPC267853
Intermediate Similarity 0.7116 NPC134848
Intermediate Similarity 0.7115 NPC83111
Intermediate Similarity 0.7111 NPC31097
Intermediate Similarity 0.7111 NPC16352
Intermediate Similarity 0.71 NPC325976
Intermediate Similarity 0.7095 NPC472295
Intermediate Similarity 0.7095 NPC269886
Intermediate Similarity 0.7095 NPC81802
Intermediate Similarity 0.7095 NPC472210
Intermediate Similarity 0.7095 NPC247735
Intermediate Similarity 0.7094 NPC219336
Intermediate Similarity 0.7091 NPC110182
Intermediate Similarity 0.7087 NPC244897
Intermediate Similarity 0.7081 NPC138370
Intermediate Similarity 0.7062 NPC276517
Intermediate Similarity 0.7059 NPC229348
Intermediate Similarity 0.7056 NPC214428
Intermediate Similarity 0.7044 NPC217372
Intermediate Similarity 0.7044 NPC183662
Intermediate Similarity 0.7044 NPC111275
Intermediate Similarity 0.7044 NPC15573
Intermediate Similarity 0.7042 NPC171317
Intermediate Similarity 0.7037 NPC476098
Intermediate Similarity 0.7028 NPC472293
Intermediate Similarity 0.7027 NPC474412
Intermediate Similarity 0.7026 NPC316411
Intermediate Similarity 0.7022 NPC272174
Intermediate Similarity 0.7018 NPC54420
Intermediate Similarity 0.7005 NPC314648
Remote Similarity 0.6996 NPC469928
Remote Similarity 0.6995 NPC267885
Remote Similarity 0.6995 NPC227582
Remote Similarity 0.6991 NPC193761
Remote Similarity 0.6991 NPC476874
Remote Similarity 0.6982 NPC267965
Remote Similarity 0.6982 NPC472291
Remote Similarity 0.6977 NPC252338
Remote Similarity 0.6972 NPC277350
Remote Similarity 0.6971 NPC235684
Remote Similarity 0.6971 NPC153400
Remote Similarity 0.6967 NPC67551
Remote Similarity 0.6967 NPC472292
Remote Similarity 0.6955 NPC271862
Remote Similarity 0.6955 NPC478083
Remote Similarity 0.6955 NPC162860
Remote Similarity 0.6952 NPC314333
Remote Similarity 0.6952 NPC329858
Remote Similarity 0.6951 NPC477979
Remote Similarity 0.6946 NPC107836
Remote Similarity 0.6946 NPC149155
Remote Similarity 0.6946 NPC203468
Remote Similarity 0.6946 NPC110500
Remote Similarity 0.6943 NPC24370
Remote Similarity 0.6943 NPC319232
Remote Similarity 0.6943 NPC214142
Remote Similarity 0.694 NPC132329
Remote Similarity 0.6937 NPC75634
Remote Similarity 0.6937 NPC87856
Remote Similarity 0.6937 NPC151976
Remote Similarity 0.6935 NPC476118
Remote Similarity 0.6934 NPC192306
Remote Similarity 0.6934 NPC267343
Remote Similarity 0.693 NPC241024
Remote Similarity 0.693 NPC472297
Remote Similarity 0.693 NPC472296
Remote Similarity 0.6929 NPC14812
Remote Similarity 0.6927 NPC126709
Remote Similarity 0.6927 NPC248041
Remote Similarity 0.6927 NPC283219
Remote Similarity 0.6927 NPC473376
Remote Similarity 0.6926 NPC95240
Remote Similarity 0.6926 NPC326363
Remote Similarity 0.6923 NPC234999
Remote Similarity 0.6923 NPC309845
Remote Similarity 0.692 NPC330009
Remote Similarity 0.692 NPC204491
Remote Similarity 0.692 NPC203614
Remote Similarity 0.692 NPC132211
Remote Similarity 0.6916 NPC2395
Remote Similarity 0.6913 NPC261251
Remote Similarity 0.6913 NPC34580
Remote Similarity 0.6913 NPC124920
Remote Similarity 0.6913 NPC304307
Remote Similarity 0.6913 NPC192712
Remote Similarity 0.6913 NPC118559
Remote Similarity 0.6912 NPC137589
Remote Similarity 0.6912 NPC57398
Remote Similarity 0.691 NPC284888
Remote Similarity 0.6909 NPC39679
Remote Similarity 0.6909 NPC266249
Remote Similarity 0.6908 NPC117027
Remote Similarity 0.6903 NPC269270
Remote Similarity 0.6901 NPC202812
Remote Similarity 0.69 NPC235885
Remote Similarity 0.6898 NPC213308
Remote Similarity 0.6898 NPC315491
Remote Similarity 0.6898 NPC45459
Remote Similarity 0.6897 NPC315062
Remote Similarity 0.6893 NPC469896
Remote Similarity 0.6893 NPC91179
Remote Similarity 0.6887 NPC55493
Remote Similarity 0.6883 NPC100547
Remote Similarity 0.6883 NPC194740
Remote Similarity 0.6878 NPC478158
Remote Similarity 0.6878 NPC223791
Remote Similarity 0.6878 NPC107077
Remote Similarity 0.6875 NPC478157
Remote Similarity 0.6875 NPC118228
Remote Similarity 0.6872 NPC154339
Remote Similarity 0.6872 NPC329982
Remote Similarity 0.6872 NPC14686
Remote Similarity 0.6867 NPC207686
Remote Similarity 0.6867 NPC321592
Remote Similarity 0.6867 NPC54803
Remote Similarity 0.6864 NPC270918
Remote Similarity 0.6864 NPC314297
Remote Similarity 0.6864 NPC315545
Remote Similarity 0.6864 NPC321428
Remote Similarity 0.6864 NPC477065
Remote Similarity 0.6861 NPC118940
Remote Similarity 0.6861 NPC475778
Remote Similarity 0.6858 NPC477714
Remote Similarity 0.6854 NPC304203
Remote Similarity 0.6853 NPC223409
Remote Similarity 0.6853 NPC322135
Remote Similarity 0.6853 NPC472844
Remote Similarity 0.6851 NPC57453
Remote Similarity 0.6847 NPC123839
Remote Similarity 0.6842 NPC473317
Remote Similarity 0.6842 NPC311282
Remote Similarity 0.684 NPC476491
Remote Similarity 0.6835 NPC474116
Remote Similarity 0.6835 NPC162730
Remote Similarity 0.6833 NPC258062
Remote Similarity 0.6833 NPC127677
Remote Similarity 0.683 NPC317752
Remote Similarity 0.6829 NPC74619
Remote Similarity 0.6828 NPC74360
Remote Similarity 0.6827 NPC243058
Remote Similarity 0.6825 NPC213629
Remote Similarity 0.6825 NPC473666
Remote Similarity 0.6825 NPC175474
Remote Similarity 0.6824 NPC14288
Remote Similarity 0.6818 NPC315638
Remote Similarity 0.6818 NPC313345
Remote Similarity 0.6818 NPC314855
Remote Similarity 0.6818 NPC313796
Remote Similarity 0.6816 NPC87413
Remote Similarity 0.6814 NPC314603
Remote Similarity 0.681 NPC62749
Remote Similarity 0.6806 NPC102008
Remote Similarity 0.6806 NPC52557
Remote Similarity 0.6804 NPC98715
Remote Similarity 0.6796 NPC14113
Remote Similarity 0.6796 NPC145885
Remote Similarity 0.6796 NPC84827

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  707.26
ALogP  -1.5456
MLogP  4.1
XLogP  2.505
HDA  14
HBD  3
Rotatable Bonds  22
TPSA  250.47
RO5 Violation  2