Drug Information

Drug ID:  NPD439
Drug Name:  Brimonidine
Molecular Formula:  C11H10BrN5
Canonical SMILES:  Brc1c(ccc2c1nccn2)NC1=NCCN1
Standard InCHI:  InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Standard InCHIKey:  XYLJNLCSTIOKRM-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD439

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 0.8121 NPC253687
Intermediate Similarity 0.7627 NPC307191
Intermediate Similarity 0.7542 NPC108011
Intermediate Similarity 0.7299 NPC274229
Intermediate Similarity 0.7232 NPC82331
Intermediate Similarity 0.7207 NPC474958
Intermediate Similarity 0.72 NPC17751
Intermediate Similarity 0.7175 NPC97343
Intermediate Similarity 0.7143 NPC247987
Intermediate Similarity 0.7126 NPC470204
Intermediate Similarity 0.7086 NPC470203
Intermediate Similarity 0.7006 NPC280864
Remote Similarity 0.6994 NPC120070
Remote Similarity 0.6961 NPC280297
Remote Similarity 0.6936 NPC141926
Remote Similarity 0.6932 NPC122141
Remote Similarity 0.6807 NPC216159
Remote Similarity 0.6802 NPC469811
Remote Similarity 0.6798 NPC225018
Remote Similarity 0.6789 NPC231536
Remote Similarity 0.6776 NPC317054
Remote Similarity 0.6771 NPC188821
Remote Similarity 0.6771 NPC474180
Remote Similarity 0.6763 NPC321911
Remote Similarity 0.6744 NPC316069
Remote Similarity 0.6744 NPC63545
Remote Similarity 0.6743 NPC232798
Remote Similarity 0.6721 NPC477611
Remote Similarity 0.6705 NPC34844
Remote Similarity 0.6705 NPC201380
Remote Similarity 0.6705 NPC179787
Remote Similarity 0.6686 NPC316811
Remote Similarity 0.6667 NPC317105
Remote Similarity 0.6667 NPC54214
Remote Similarity 0.6648 NPC325903
Remote Similarity 0.6647 NPC143872
Remote Similarity 0.6645 NPC143156
Remote Similarity 0.6633 NPC474389
Remote Similarity 0.6632 NPC473342
Remote Similarity 0.6632 NPC304187
Remote Similarity 0.6632 NPC477167
Remote Similarity 0.6632 NPC477166
Remote Similarity 0.663 NPC2165
Remote Similarity 0.661 NPC476297
Remote Similarity 0.661 NPC476219
Remote Similarity 0.6603 NPC84268
Remote Similarity 0.6592 NPC300238
Remote Similarity 0.659 NPC204141
Remote Similarity 0.6575 NPC149265
Remote Similarity 0.6514 NPC114209
Remote Similarity 0.6505 NPC297034
Remote Similarity 0.6503 NPC49217
Remote Similarity 0.6474 NPC42483
Remote Similarity 0.6471 NPC105127
Remote Similarity 0.6467 NPC101165
Remote Similarity 0.6448 NPC195507
Remote Similarity 0.6444 NPC236711
Remote Similarity 0.6442 NPC27740
Remote Similarity 0.6435 NPC470323
Remote Similarity 0.6419 NPC156003
Remote Similarity 0.6412 NPC96102
Remote Similarity 0.6406 NPC935
Remote Similarity 0.6406 NPC267078
Remote Similarity 0.6405 NPC231655
Remote Similarity 0.6402 NPC146373
Remote Similarity 0.6402 NPC245244
Remote Similarity 0.6402 NPC166424
Remote Similarity 0.6395 NPC110126
Remote Similarity 0.6393 NPC206148
Remote Similarity 0.6384 NPC2272
Remote Similarity 0.6383 NPC136441
Remote Similarity 0.638 NPC46358
Remote Similarity 0.6377 NPC473218
Remote Similarity 0.6377 NPC470702
Remote Similarity 0.6376 NPC474357
Remote Similarity 0.6374 NPC84911
Remote Similarity 0.6374 NPC125746
Remote Similarity 0.6369 NPC82295
Remote Similarity 0.6369 NPC471322
Remote Similarity 0.6358 NPC115611
Remote Similarity 0.635 NPC237414
Remote Similarity 0.6346 NPC470703
Remote Similarity 0.633 NPC471579
Remote Similarity 0.6328 NPC470111
Remote Similarity 0.6316 NPC29886
Remote Similarity 0.6316 NPC261195
Remote Similarity 0.6316 NPC265710
Remote Similarity 0.631 NPC282398
Remote Similarity 0.631 NPC476421
Remote Similarity 0.631 NPC28096
Remote Similarity 0.631 NPC227489
Remote Similarity 0.6301 NPC73767
Remote Similarity 0.6298 NPC476464
Remote Similarity 0.6292 NPC282531
Remote Similarity 0.6283 NPC16659
Remote Similarity 0.6269 NPC136957
Remote Similarity 0.6269 NPC19696
Remote Similarity 0.6264 NPC469767
Remote Similarity 0.6264 NPC469761
Remote Similarity 0.6264 NPC469784
Remote Similarity 0.6264 NPC469768
Remote Similarity 0.6264 NPC469779
Remote Similarity 0.6264 NPC279081
Remote Similarity 0.6264 NPC469780
Remote Similarity 0.6264 NPC469783
Remote Similarity 0.6264 NPC284635
Remote Similarity 0.6263 NPC240088
Remote Similarity 0.6263 NPC473380
Remote Similarity 0.6256 NPC473761
Remote Similarity 0.625 NPC174281
Remote Similarity 0.625 NPC475286
Remote Similarity 0.623 NPC233050
Remote Similarity 0.623 NPC276540
Remote Similarity 0.6229 NPC469766
Remote Similarity 0.6223 NPC226835
Remote Similarity 0.6221 NPC325252
Remote Similarity 0.6216 NPC478184
Remote Similarity 0.6215 NPC86288
Remote Similarity 0.6212 NPC272458
Remote Similarity 0.6193 NPC190296
Remote Similarity 0.6188 NPC220797
Remote Similarity 0.6188 NPC268744
Remote Similarity 0.6188 NPC474318
Remote Similarity 0.6188 NPC153123
Remote Similarity 0.6188 NPC475914
Remote Similarity 0.6188 NPC201266
Remote Similarity 0.6184 NPC116555
Remote Similarity 0.618 NPC288838
Remote Similarity 0.6171 NPC230002
Remote Similarity 0.6166 NPC275292
Remote Similarity 0.6166 NPC243381
Remote Similarity 0.6163 NPC198988
Remote Similarity 0.6158 NPC106771
Remote Similarity 0.6158 NPC166209
Remote Similarity 0.6158 NPC205254
Remote Similarity 0.6158 NPC303820
Remote Similarity 0.6158 NPC23420
Remote Similarity 0.6158 NPC269203
Remote Similarity 0.6158 NPC77241
Remote Similarity 0.6158 NPC13456
Remote Similarity 0.615 NPC478183
Remote Similarity 0.6138 NPC201634
Remote Similarity 0.6136 NPC197068
Remote Similarity 0.6133 NPC470233
Remote Similarity 0.6129 NPC476418
Remote Similarity 0.6127 NPC94211
Remote Similarity 0.6127 NPC52909
Remote Similarity 0.6127 NPC475935
Remote Similarity 0.6126 NPC280852
Remote Similarity 0.6124 NPC159856
Remote Similarity 0.6124 NPC314372
Remote Similarity 0.6119 NPC48117
Remote Similarity 0.6119 NPC476526
Remote Similarity 0.6119 NPC329765
Remote Similarity 0.6118 NPC83987
Remote Similarity 0.6103 NPC467063
Remote Similarity 0.6092 NPC314102
Remote Similarity 0.6092 NPC251722
Remote Similarity 0.6077 NPC40070
Remote Similarity 0.6077 NPC53947
Remote Similarity 0.6075 NPC475736
Remote Similarity 0.6074 NPC91958
Remote Similarity 0.6061 NPC265605
Remote Similarity 0.6061 NPC182570
Remote Similarity 0.6061 NPC48564
Remote Similarity 0.6056 NPC471957
Remote Similarity 0.6054 NPC293487
Remote Similarity 0.6054 NPC477591
Remote Similarity 0.6054 NPC56765
Remote Similarity 0.6049 NPC469308
Remote Similarity 0.6048 NPC147810
Remote Similarity 0.6041 NPC63571
Remote Similarity 0.6039 NPC470505
Remote Similarity 0.6031 NPC314281
Remote Similarity 0.6031 NPC40530
Remote Similarity 0.6023 NPC88097
Remote Similarity 0.6022 NPC473706
Remote Similarity 0.602 NPC110158
Remote Similarity 0.6019 NPC474195
Remote Similarity 0.6011 NPC138842
Remote Similarity 0.601 NPC310633
Remote Similarity 0.599 NPC97106
Remote Similarity 0.5989 NPC105818
Remote Similarity 0.5989 NPC24678
Remote Similarity 0.5988 NPC256893
Remote Similarity 0.5981 NPC175916
Remote Similarity 0.5976 NPC143603
Remote Similarity 0.5975 NPC27802
Remote Similarity 0.5966 NPC104049
Remote Similarity 0.5966 NPC169433
Remote Similarity 0.5962 NPC282247
Remote Similarity 0.596 NPC46022
Remote Similarity 0.596 NPC111566
Remote Similarity 0.596 NPC112489
Remote Similarity 0.5957 NPC90723
Remote Similarity 0.5957 NPC478182
Remote Similarity 0.5957 NPC162268
Remote Similarity 0.5956 NPC470823
Remote Similarity 0.5956 NPC216713
Remote Similarity 0.5953 NPC477114

Drug Structure

External Identifiers

TTD   DNC001485; DAP000280; DIB014822
DrugBank   DB00484
ChEMBL   CHEMBL844
IUPHAR/BPS   520
PharmaGKB   PA448665
KEGG Drug   D02076
PubChem CID   2435
ChEBI   3175
CAS Number  59803-98-4

Drug Properties

Molecular Weight  291.01
ALogP  0.2183
MLogP  2.01
XLogP  1.648
HDA  5
HBD  2
Rotatable Bonds  3
TPSA  62.2
RO5 Violation  0