Drug Information

Drug ID:  NPD947
Drug Name:  Proflavine
Molecular Formula:  C13H11N3
Canonical SMILES:  Nc1ccc2c(c1)nc1c(c2)ccc(c1)N
Standard InCHI:  InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2
Standard InCHIKey:  WDVSHHCDHLJJJR-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD947

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 0.9098 NPC162689
High Similarity 0.9098 NPC54102
High Similarity 0.8968 NPC122718
High Similarity 0.88 NPC215519
High Similarity 0.878 NPC148140
High Similarity 0.871 NPC81561
High Similarity 0.8676 NPC284635
High Similarity 0.8538 NPC250361
Intermediate Similarity 0.8496 NPC179365
Intermediate Similarity 0.8409 NPC473762
Intermediate Similarity 0.8346 NPC473587
Intermediate Similarity 0.8321 NPC314102
Intermediate Similarity 0.8321 NPC251722
Intermediate Similarity 0.8296 NPC473930
Intermediate Similarity 0.8284 NPC475428
Intermediate Similarity 0.8231 NPC41174
Intermediate Similarity 0.8222 NPC475450
Intermediate Similarity 0.8175 NPC198988
Intermediate Similarity 0.8148 NPC22079
Intermediate Similarity 0.8143 NPC115611
Intermediate Similarity 0.8129 NPC169433
Intermediate Similarity 0.8116 NPC325252
Intermediate Similarity 0.8071 NPC88097
Intermediate Similarity 0.8049 NPC302790
Intermediate Similarity 0.803 NPC46358
Intermediate Similarity 0.8014 NPC59084
Intermediate Similarity 0.7985 NPC476140
Intermediate Similarity 0.7958 NPC473868
Intermediate Similarity 0.7958 NPC63157
Intermediate Similarity 0.7943 NPC312092
Intermediate Similarity 0.7931 NPC21605
Intermediate Similarity 0.7887 NPC2949
Intermediate Similarity 0.7883 NPC282398
Intermediate Similarity 0.7823 NPC33421
Intermediate Similarity 0.7801 NPC105127
Intermediate Similarity 0.7752 NPC143156
Intermediate Similarity 0.774 NPC63545
Intermediate Similarity 0.773 NPC96102
Intermediate Similarity 0.773 NPC218268
Intermediate Similarity 0.7718 NPC325903
Intermediate Similarity 0.7712 NPC317105
Intermediate Similarity 0.7697 NPC44773
Intermediate Similarity 0.7697 NPC215584
Intermediate Similarity 0.7692 NPC110126
Intermediate Similarity 0.7687 NPC179787
Intermediate Similarity 0.7687 NPC201380
Intermediate Similarity 0.7687 NPC469811
Intermediate Similarity 0.7676 NPC84911
Intermediate Similarity 0.7676 NPC125746
Intermediate Similarity 0.7671 NPC470440
Intermediate Similarity 0.7671 NPC204141
Intermediate Similarity 0.7671 NPC86288
Intermediate Similarity 0.7667 NPC476219
Intermediate Similarity 0.7635 NPC321911
Intermediate Similarity 0.7619 NPC288838
Intermediate Similarity 0.7606 NPC261195
Intermediate Similarity 0.7606 NPC29886
Intermediate Similarity 0.7571 NPC82295
Intermediate Similarity 0.7569 NPC104483
Intermediate Similarity 0.7569 NPC73767
Intermediate Similarity 0.7568 NPC477134
Intermediate Similarity 0.755 NPC476297
Intermediate Similarity 0.7534 NPC20144
Intermediate Similarity 0.7519 NPC91958
Intermediate Similarity 0.7518 NPC146373
Intermediate Similarity 0.7518 NPC245244
Intermediate Similarity 0.7518 NPC166424
Intermediate Similarity 0.7517 NPC469761
Intermediate Similarity 0.7517 NPC469767
Intermediate Similarity 0.7517 NPC124005
Intermediate Similarity 0.7517 NPC469783
Intermediate Similarity 0.7517 NPC469768
Intermediate Similarity 0.7517 NPC279081
Intermediate Similarity 0.7517 NPC469779
Intermediate Similarity 0.7517 NPC469780
Intermediate Similarity 0.7517 NPC469784
Intermediate Similarity 0.7516 NPC56765
Intermediate Similarity 0.7516 NPC474880
Intermediate Similarity 0.7516 NPC475990
Intermediate Similarity 0.7516 NPC221786
Intermediate Similarity 0.75 NPC476464
Intermediate Similarity 0.75 NPC478186
Intermediate Similarity 0.7483 NPC242556
Intermediate Similarity 0.7483 NPC161108
Intermediate Similarity 0.7468 NPC229173
Intermediate Similarity 0.7468 NPC201634
Intermediate Similarity 0.7467 NPC53947
Intermediate Similarity 0.7467 NPC40070
Intermediate Similarity 0.7466 NPC469766
Intermediate Similarity 0.7421 NPC252572
Intermediate Similarity 0.7417 NPC470233
Intermediate Similarity 0.7415 NPC190296
Intermediate Similarity 0.74 NPC288445
Intermediate Similarity 0.7398 NPC213774
Intermediate Similarity 0.7397 NPC230002
Intermediate Similarity 0.7383 NPC143872
Intermediate Similarity 0.7368 NPC138842
Intermediate Similarity 0.7355 NPC122141
Intermediate Similarity 0.7351 NPC148592
Intermediate Similarity 0.7338 NPC236711
Intermediate Similarity 0.7338 NPC76982
Intermediate Similarity 0.7338 NPC216643
Intermediate Similarity 0.7333 NPC470111
Intermediate Similarity 0.7324 NPC101165
Intermediate Similarity 0.732 NPC38736
Intermediate Similarity 0.7319 NPC27740
Intermediate Similarity 0.7315 NPC159856
Intermediate Similarity 0.7315 NPC314372
Intermediate Similarity 0.731 NPC150259
Intermediate Similarity 0.729 NPC318065
Intermediate Similarity 0.729 NPC206819
Intermediate Similarity 0.7285 NPC37548
Intermediate Similarity 0.7279 NPC238499
Intermediate Similarity 0.7273 NPC184476
Intermediate Similarity 0.7267 NPC129042
Intermediate Similarity 0.7267 NPC297034
Intermediate Similarity 0.7261 NPC478184
Intermediate Similarity 0.7261 NPC90723
Intermediate Similarity 0.7259 NPC143603
Intermediate Similarity 0.7244 NPC470204
Intermediate Similarity 0.723 NPC277157
Intermediate Similarity 0.7226 NPC286427
Intermediate Similarity 0.7219 NPC471957
Intermediate Similarity 0.7203 NPC256893
Intermediate Similarity 0.7197 NPC225018
Intermediate Similarity 0.7197 NPC470203
Intermediate Similarity 0.7188 NPC474897
Intermediate Similarity 0.7179 NPC92796
Intermediate Similarity 0.7179 NPC135141
Intermediate Similarity 0.7179 NPC6436
Intermediate Similarity 0.7179 NPC41257
Intermediate Similarity 0.7171 NPC2272
Intermediate Similarity 0.716 NPC471579
Intermediate Similarity 0.716 NPC189812
Intermediate Similarity 0.716 NPC329688
Intermediate Similarity 0.7152 NPC21174
Intermediate Similarity 0.7152 NPC271797
Intermediate Similarity 0.7134 NPC473320
Intermediate Similarity 0.7124 NPC24678
Intermediate Similarity 0.7124 NPC105818
Intermediate Similarity 0.7115 NPC26850
Intermediate Similarity 0.7115 NPC316910
Intermediate Similarity 0.7114 NPC60553
Intermediate Similarity 0.7107 NPC2165
Intermediate Similarity 0.7107 NPC274229
Intermediate Similarity 0.7107 NPC195507
Intermediate Similarity 0.7101 NPC182570
Intermediate Similarity 0.7101 NPC48564
Intermediate Similarity 0.7101 NPC265605
Intermediate Similarity 0.7097 NPC471458
Intermediate Similarity 0.7097 NPC470507
Intermediate Similarity 0.7089 NPC16667
Intermediate Similarity 0.7086 NPC285731
Intermediate Similarity 0.7078 NPC470823
Intermediate Similarity 0.7078 NPC216713
Intermediate Similarity 0.7073 NPC237188
Intermediate Similarity 0.707 NPC293487
Intermediate Similarity 0.707 NPC474791
Intermediate Similarity 0.7059 NPC297486
Intermediate Similarity 0.7059 NPC187951
Intermediate Similarity 0.7059 NPC240136
Intermediate Similarity 0.7059 NPC471402
Intermediate Similarity 0.7051 NPC285469
Intermediate Similarity 0.7051 NPC141353
Intermediate Similarity 0.7051 NPC51054
Intermediate Similarity 0.7044 NPC271734
Intermediate Similarity 0.7044 NPC162799
Intermediate Similarity 0.7044 NPC159319
Intermediate Similarity 0.7044 NPC247987
Intermediate Similarity 0.7042 NPC278451
Intermediate Similarity 0.7037 NPC82331
Intermediate Similarity 0.7032 NPC200214
Intermediate Similarity 0.7032 NPC141926
Intermediate Similarity 0.7032 NPC25008
Intermediate Similarity 0.7032 NPC232798
Intermediate Similarity 0.7032 NPC469760
Intermediate Similarity 0.7032 NPC259644
Intermediate Similarity 0.7032 NPC469763
Intermediate Similarity 0.7032 NPC469786
Intermediate Similarity 0.7032 NPC200743
Intermediate Similarity 0.7032 NPC469765
Intermediate Similarity 0.7032 NPC73952
Intermediate Similarity 0.7019 NPC63751
Intermediate Similarity 0.7019 NPC317430
Intermediate Similarity 0.7014 NPC69914
Intermediate Similarity 0.7012 NPC280852
Intermediate Similarity 0.7006 NPC299594
Intermediate Similarity 0.7 NPC434
Intermediate Similarity 0.7 NPC88121
Intermediate Similarity 0.7 NPC79618
Remote Similarity 0.6993 NPC114209
Remote Similarity 0.6993 NPC89490
Remote Similarity 0.6987 NPC75540
Remote Similarity 0.6987 NPC212376
Remote Similarity 0.6987 NPC80597
Remote Similarity 0.6987 NPC211572
Remote Similarity 0.6987 NPC70922
Remote Similarity 0.6987 NPC34844
Remote Similarity 0.6985 NPC192209
Remote Similarity 0.6985 NPC476566

Drug Structure

External Identifiers

TTD   DAP000995
DrugBank   DB01123
ChEMBL   CHEMBL55400
IUPHAR/BPS  
PharmaGKB   PA164748742
KEGG Drug  
PubChem CID   7099
ChEBI   8452
CAS Number  92-62-6

Drug Properties

Molecular Weight  209.10
ALogP  -1.4998
MLogP  2.56
XLogP  2.174
HDA  3
HBD  2
Rotatable Bonds  2
TPSA  64.93
RO5 Violation  0