Drug Information

Drug ID:  NPD2119
Drug Name:  Pheniramine
Molecular Formula:  C16H20N2
Canonical SMILES:  CN(CCC(c1ccccn1)c1ccccc1)C
Standard InCHI:  InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3
Standard InCHIKey:  IJHNSHDBIRRJRN-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD2119

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 0.916 NPC316811
High Similarity 0.916 NPC315348
High Similarity 0.916 NPC32002
High Similarity 0.9154 NPC314102
High Similarity 0.9154 NPC251722
High Similarity 0.9091 NPC91958
High Similarity 0.9008 NPC240136
High Similarity 0.9008 NPC471402
High Similarity 0.9008 NPC297486
High Similarity 0.888 NPC46358
High Similarity 0.881 NPC476322
High Similarity 0.88 NPC329825
High Similarity 0.878 NPC143603
High Similarity 0.873 NPC290094
High Similarity 0.8722 NPC150259
High Similarity 0.872 NPC265605
High Similarity 0.872 NPC182570
High Similarity 0.872 NPC48564
High Similarity 0.8626 NPC256893
High Similarity 0.8583 NPC27802
High Similarity 0.855 NPC69914
High Similarity 0.855 NPC282398
High Similarity 0.8527 NPC202957
High Similarity 0.8527 NPC169625
High Similarity 0.8511 NPC470233
Intermediate Similarity 0.8473 NPC475105
Intermediate Similarity 0.8473 NPC329896
Intermediate Similarity 0.8473 NPC475090
Intermediate Similarity 0.8473 NPC476131
Intermediate Similarity 0.8456 NPC73767
Intermediate Similarity 0.845 NPC245244
Intermediate Similarity 0.845 NPC146373
Intermediate Similarity 0.845 NPC166424
Intermediate Similarity 0.844 NPC40070
Intermediate Similarity 0.8429 NPC470111
Intermediate Similarity 0.84 NPC81561
Intermediate Similarity 0.8397 NPC89490
Intermediate Similarity 0.8394 NPC469779
Intermediate Similarity 0.8394 NPC469783
Intermediate Similarity 0.8394 NPC469767
Intermediate Similarity 0.8394 NPC469761
Intermediate Similarity 0.8394 NPC469780
Intermediate Similarity 0.8394 NPC469784
Intermediate Similarity 0.8394 NPC469768
Intermediate Similarity 0.8382 NPC169433
Intermediate Similarity 0.8346 NPC101165
Intermediate Similarity 0.8333 NPC76540
Intermediate Similarity 0.8333 NPC469766
Intermediate Similarity 0.8333 NPC231655
Intermediate Similarity 0.8321 NPC110126
Intermediate Similarity 0.832 NPC476566
Intermediate Similarity 0.832 NPC148140
Intermediate Similarity 0.8309 NPC84911
Intermediate Similarity 0.8235 NPC29886
Intermediate Similarity 0.8235 NPC261195
Intermediate Similarity 0.8235 NPC96102
Intermediate Similarity 0.8231 NPC27740
Intermediate Similarity 0.8219 NPC56765
Intermediate Similarity 0.8188 NPC104483
Intermediate Similarity 0.8182 NPC53947
Intermediate Similarity 0.8182 NPC471311
Intermediate Similarity 0.8182 NPC471313
Intermediate Similarity 0.8175 NPC105127
Intermediate Similarity 0.8169 NPC179787
Intermediate Similarity 0.8169 NPC201380
Intermediate Similarity 0.8156 NPC86288
Intermediate Similarity 0.8151 NPC129721
Intermediate Similarity 0.8143 NPC20144
Intermediate Similarity 0.8129 NPC59084
Intermediate Similarity 0.8112 NPC321911
Intermediate Similarity 0.8099 NPC63545
Intermediate Similarity 0.8082 NPC51054
Intermediate Similarity 0.8071 NPC473868
Intermediate Similarity 0.8071 NPC63157
Intermediate Similarity 0.8062 NPC215519
Intermediate Similarity 0.8054 NPC90723
Intermediate Similarity 0.8047 NPC162689
Intermediate Similarity 0.8047 NPC54102
Intermediate Similarity 0.8042 NPC469811
Intermediate Similarity 0.8029 NPC198988
Intermediate Similarity 0.8028 NPC314372
Intermediate Similarity 0.8014 NPC190296
Intermediate Similarity 0.8 NPC2949
Intermediate Similarity 0.8 NPC235843
Intermediate Similarity 0.8 NPC279081
Intermediate Similarity 0.7973 NPC206819
Intermediate Similarity 0.7973 NPC318065
Intermediate Similarity 0.7972 NPC288838
Intermediate Similarity 0.7959 NPC476464
Intermediate Similarity 0.7955 NPC122718
Intermediate Similarity 0.7945 NPC325903
Intermediate Similarity 0.7941 NPC82295
Intermediate Similarity 0.7941 NPC471322
Intermediate Similarity 0.7933 NPC478182
Intermediate Similarity 0.7931 NPC105818
Intermediate Similarity 0.7931 NPC24678
Intermediate Similarity 0.7917 NPC477974
Intermediate Similarity 0.7905 NPC286427
Intermediate Similarity 0.7902 NPC285731
Intermediate Similarity 0.7872 NPC230002
Intermediate Similarity 0.7852 NPC41257
Intermediate Similarity 0.7852 NPC477591
Intermediate Similarity 0.7847 NPC143872
Intermediate Similarity 0.7842 NPC325252
Intermediate Similarity 0.7833 NPC83987
Intermediate Similarity 0.7823 NPC138842
Intermediate Similarity 0.7823 NPC73952
Intermediate Similarity 0.7823 NPC469760
Intermediate Similarity 0.7823 NPC200214
Intermediate Similarity 0.7823 NPC469786
Intermediate Similarity 0.7823 NPC259644
Intermediate Similarity 0.7823 NPC469763
Intermediate Similarity 0.7823 NPC469765
Intermediate Similarity 0.7823 NPC25008
Intermediate Similarity 0.781 NPC324611
Intermediate Similarity 0.7801 NPC88097
Intermediate Similarity 0.78 NPC44773
Intermediate Similarity 0.78 NPC215584
Intermediate Similarity 0.7793 NPC471957
Intermediate Similarity 0.7793 NPC21605
Intermediate Similarity 0.7786 NPC65408
Intermediate Similarity 0.7785 NPC216643
Intermediate Similarity 0.7785 NPC236711
Intermediate Similarity 0.7778 NPC159856
Intermediate Similarity 0.777 NPC75540
Intermediate Similarity 0.777 NPC211572
Intermediate Similarity 0.777 NPC70922
Intermediate Similarity 0.777 NPC212376
Intermediate Similarity 0.777 NPC80597
Intermediate Similarity 0.7748 NPC470203
Intermediate Similarity 0.7737 NPC22079
Intermediate Similarity 0.7733 NPC293487
Intermediate Similarity 0.7727 NPC116961
Intermediate Similarity 0.7692 NPC476454
Intermediate Similarity 0.7687 NPC33421
Intermediate Similarity 0.7682 NPC470204
Intermediate Similarity 0.7677 NPC201634
Intermediate Similarity 0.7667 NPC213774
Intermediate Similarity 0.7667 NPC193740
Intermediate Similarity 0.7667 NPC167635
Intermediate Similarity 0.766 NPC471312
Intermediate Similarity 0.7651 NPC34844
Intermediate Similarity 0.7647 NPC278451
Intermediate Similarity 0.7643 NPC280852
Intermediate Similarity 0.7639 NPC477977
Intermediate Similarity 0.7635 NPC470823
Intermediate Similarity 0.7616 NPC92796
Intermediate Similarity 0.7616 NPC135141
Intermediate Similarity 0.7616 NPC80681
Intermediate Similarity 0.7613 NPC194411
Intermediate Similarity 0.76 NPC469785
Intermediate Similarity 0.7597 NPC474561
Intermediate Similarity 0.7597 NPC49954
Intermediate Similarity 0.7597 NPC478183
Intermediate Similarity 0.7584 NPC141926
Intermediate Similarity 0.7582 NPC317105
Intermediate Similarity 0.7582 NPC478184
Intermediate Similarity 0.7574 NPC476140
Intermediate Similarity 0.7566 NPC122141
Intermediate Similarity 0.7564 NPC82331
Intermediate Similarity 0.7554 NPC475450
Intermediate Similarity 0.755 NPC469762
Intermediate Similarity 0.7534 NPC469525
Intermediate Similarity 0.7534 NPC470440
Intermediate Similarity 0.7533 NPC476297
Intermediate Similarity 0.7533 NPC476219
Intermediate Similarity 0.7532 NPC203754
Intermediate Similarity 0.7532 NPC474958
Intermediate Similarity 0.7532 NPC150048
Intermediate Similarity 0.7517 NPC216713
Intermediate Similarity 0.7516 NPC478185
Intermediate Similarity 0.7516 NPC225018
Intermediate Similarity 0.75 NPC91895
Intermediate Similarity 0.75 NPC115611
Intermediate Similarity 0.7484 NPC160105
Intermediate Similarity 0.7484 NPC98187
Intermediate Similarity 0.7484 NPC56233
Intermediate Similarity 0.7482 NPC475428
Intermediate Similarity 0.7468 NPC37423
Intermediate Similarity 0.7468 NPC275305
Intermediate Similarity 0.7468 NPC265100
Intermediate Similarity 0.7468 NPC311276
Intermediate Similarity 0.7465 NPC218268
Intermediate Similarity 0.7445 NPC250361
Intermediate Similarity 0.7438 NPC248462
Intermediate Similarity 0.7436 NPC201700
Intermediate Similarity 0.7434 NPC469897
Intermediate Similarity 0.7419 NPC274229
Intermediate Similarity 0.7415 NPC467188
Intermediate Similarity 0.7415 NPC204141
Intermediate Similarity 0.741 NPC473587
Intermediate Similarity 0.7407 NPC41174
Intermediate Similarity 0.7403 NPC124542
Intermediate Similarity 0.7403 NPC59779
Intermediate Similarity 0.7403 NPC282231
Intermediate Similarity 0.7403 NPC471177
Intermediate Similarity 0.74 NPC70406
Intermediate Similarity 0.7391 NPC212125
Intermediate Similarity 0.7389 NPC32534
Intermediate Similarity 0.7386 NPC221786

Drug Structure

External Identifiers

TTD   DAP001063
DrugBank   DB01620
ChEMBL   CHEMBL1193
IUPHAR/BPS   7267
PharmaGKB   PA164744506
KEGG Drug  
PubChem CID   4761
ChEBI   91591
CAS Number  86-21-5

Drug Properties

Molecular Weight  240.16
ALogP  -0.0929
MLogP  3
XLogP  5.247
HDA  2
HBD  0
Rotatable Bonds  7
TPSA  16.13
RO5 Violation  1