Drug Information

Drug ID:  NPD707
Drug Name:  Triamterene
Molecular Formula:  C12H11N7
Canonical SMILES:  N=c1nc2[nH]c(=N)[nH]c(c2nc1c1ccccc1)N
Standard InCHI:  InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)
Standard InCHIKey:  FNYLWPVRPXGIIP-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD707

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 0.7456 NPC314141
Intermediate Similarity 0.7238 NPC7067
Remote Similarity 0.6759 NPC322040
Remote Similarity 0.6612 NPC288232
Remote Similarity 0.6606 NPC469330
Remote Similarity 0.6581 NPC164802
Remote Similarity 0.6552 NPC473498
Remote Similarity 0.6545 NPC108339
Remote Similarity 0.6522 NPC275467
Remote Similarity 0.6504 NPC313449
Remote Similarity 0.6486 NPC471319
Remote Similarity 0.6486 NPC471320
Remote Similarity 0.6481 NPC476160
Remote Similarity 0.6441 NPC302790
Remote Similarity 0.6311 NPC296163
Remote Similarity 0.6296 NPC262393
Remote Similarity 0.6286 NPC119677
Remote Similarity 0.6273 NPC226438
Remote Similarity 0.6263 NPC244738
Remote Similarity 0.624 NPC192209
Remote Similarity 0.6238 NPC139658
Remote Similarity 0.6224 NPC229235
Remote Similarity 0.6212 NPC313722
Remote Similarity 0.62 NPC112609
Remote Similarity 0.62 NPC122327
Remote Similarity 0.62 NPC113000
Remote Similarity 0.6179 NPC187036
Remote Similarity 0.6176 NPC98269
Remote Similarity 0.6176 NPC325662
Remote Similarity 0.6167 NPC77294
Remote Similarity 0.614 NPC311242
Remote Similarity 0.6117 NPC12857
Remote Similarity 0.6111 NPC114209
Remote Similarity 0.6106 NPC161972
Remote Similarity 0.6106 NPC303045
Remote Similarity 0.6102 NPC469974
Remote Similarity 0.6075 NPC169016
Remote Similarity 0.6074 NPC325479
Remote Similarity 0.6061 NPC219246
Remote Similarity 0.6045 NPC9856
Remote Similarity 0.6043 NPC125746
Remote Similarity 0.604 NPC299134
Remote Similarity 0.6036 NPC191444
Remote Similarity 0.6019 NPC290638
Remote Similarity 0.6016 NPC275410
Remote Similarity 0.6 NPC472258
Remote Similarity 0.5984 NPC470127
Remote Similarity 0.598 NPC276699
Remote Similarity 0.5972 NPC204141
Remote Similarity 0.5963 NPC258046
Remote Similarity 0.5963 NPC203076
Remote Similarity 0.5948 NPC317642
Remote Similarity 0.5946 NPC176858
Remote Similarity 0.5923 NPC273830
Remote Similarity 0.5912 NPC101165
Remote Similarity 0.5909 NPC473031
Remote Similarity 0.5909 NPC471638
Remote Similarity 0.5893 NPC78154
Remote Similarity 0.5873 NPC205652
Remote Similarity 0.5856 NPC30445
Remote Similarity 0.5845 NPC2823
Remote Similarity 0.5833 NPC328683
Remote Similarity 0.5833 NPC283130
Remote Similarity 0.5827 NPC317031
Remote Similarity 0.5826 NPC329430
Remote Similarity 0.5825 NPC98976
Remote Similarity 0.5804 NPC470877
Remote Similarity 0.5804 NPC173991
Remote Similarity 0.5789 NPC108800
Remote Similarity 0.5776 NPC25565
Remote Similarity 0.5772 NPC469975
Remote Similarity 0.5769 NPC271642
Remote Similarity 0.5766 NPC262295
Remote Similarity 0.5752 NPC121872
Remote Similarity 0.5752 NPC141139
Remote Similarity 0.5752 NPC159178
Remote Similarity 0.5752 NPC209764
Remote Similarity 0.5752 NPC471307
Remote Similarity 0.5752 NPC74936
Remote Similarity 0.5752 NPC78041
Remote Similarity 0.5752 NPC316108
Remote Similarity 0.575 NPC474430
Remote Similarity 0.5726 NPC475439
Remote Similarity 0.5726 NPC473501
Remote Similarity 0.5725 NPC476689
Remote Similarity 0.5725 NPC476685
Remote Similarity 0.5725 NPC476687
Remote Similarity 0.5724 NPC314114
Remote Similarity 0.5714 NPC143872
Remote Similarity 0.5714 NPC111233
Remote Similarity 0.5714 NPC12429
Remote Similarity 0.5702 NPC245259
Remote Similarity 0.5701 NPC192623
Remote Similarity 0.5692 NPC220698
Remote Similarity 0.5688 NPC104070
Remote Similarity 0.5686 NPC121708
Remote Similarity 0.5686 NPC125144
Remote Similarity 0.5658 NPC84317
Remote Similarity 0.5649 NPC122141
Remote Similarity 0.5638 NPC198841
Remote Similarity 0.5614 NPC172128
Remote Similarity 0.5613 NPC225018
Remote Similarity 0.5612 NPC22079
Remote Similarity 0.5612 NPC50266
Remote Similarity 0.5603 NPC300299
Remote Similarity 0.5603 NPC471309

Drug Structure

External Identifiers

TTD   DAP000575
DrugBank   DB00384
ChEMBL   CHEMBL585
IUPHAR/BPS   4329
PharmaGKB   PA451752
KEGG Drug   D00386
PubChem CID   5546
ChEBI   9671
CAS Number  396-01-0

Drug Properties

Molecular Weight  253.11
ALogP  -1.8715
MLogP  2.01
XLogP  3.217
HDA  7
HBD  5
Rotatable Bonds  2
TPSA  122.5
RO5 Violation  0