Drug Information

Drug ID:  NPD2073
Drug Name:  Dexchlorpheniramine Maleate
Molecular Formula:  C16H19ClN2.C4H4O4
Canonical SMILES:  CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C.OC(=O)/C=CC(=O)O
Standard InCHI:  InChI=1S/C16H19ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-;/m0./s1
Standard InCHIKey:  DBAKFASWICGISY-DASCVMRKSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2073

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 1.0 NPC315348
High Similarity 1.0 NPC32002
High Similarity 0.8707 NPC476464
Intermediate Similarity 0.8451 NPC316811
Intermediate Similarity 0.8442 NPC116961
Intermediate Similarity 0.844 NPC314102
Intermediate Similarity 0.844 NPC251722
Intermediate Similarity 0.8344 NPC477591
Intermediate Similarity 0.8333 NPC91958
Intermediate Similarity 0.8258 NPC471402
Intermediate Similarity 0.8258 NPC240136
Intermediate Similarity 0.8258 NPC297486
Intermediate Similarity 0.8207 NPC476454
Intermediate Similarity 0.8182 NPC471312
Intermediate Similarity 0.8162 NPC46358
Intermediate Similarity 0.8102 NPC476322
Intermediate Similarity 0.8088 NPC329825
Intermediate Similarity 0.806 NPC143603
Intermediate Similarity 0.8056 NPC150259
Intermediate Similarity 0.8029 NPC290094
Intermediate Similarity 0.8015 NPC265605
Intermediate Similarity 0.8015 NPC182570
Intermediate Similarity 0.8015 NPC48564
Intermediate Similarity 0.7958 NPC256893
Intermediate Similarity 0.7895 NPC470233
Intermediate Similarity 0.7887 NPC69914
Intermediate Similarity 0.7887 NPC282398
Intermediate Similarity 0.7863 NPC27802
Intermediate Similarity 0.7857 NPC202957
Intermediate Similarity 0.7857 NPC169625
Intermediate Similarity 0.7829 NPC40070
Intermediate Similarity 0.7823 NPC73767
Intermediate Similarity 0.7817 NPC475105
Intermediate Similarity 0.7817 NPC476131
Intermediate Similarity 0.7817 NPC475090
Intermediate Similarity 0.7817 NPC329896
Intermediate Similarity 0.7815 NPC470111
Intermediate Similarity 0.7786 NPC166424
Intermediate Similarity 0.7786 NPC245244
Intermediate Similarity 0.7786 NPC146373
Intermediate Similarity 0.777 NPC469779
Intermediate Similarity 0.777 NPC469783
Intermediate Similarity 0.777 NPC469768
Intermediate Similarity 0.777 NPC469784
Intermediate Similarity 0.777 NPC469780
Intermediate Similarity 0.777 NPC469761
Intermediate Similarity 0.777 NPC469767
Intermediate Similarity 0.7755 NPC169433
Intermediate Similarity 0.7746 NPC89490
Intermediate Similarity 0.7721 NPC81561
Intermediate Similarity 0.7718 NPC469766
Intermediate Similarity 0.7708 NPC101165
Intermediate Similarity 0.7703 NPC110126
Intermediate Similarity 0.7687 NPC84911
Intermediate Similarity 0.7647 NPC476566
Intermediate Similarity 0.7647 NPC148140
Intermediate Similarity 0.7643 NPC56765
Intermediate Similarity 0.7636 NPC314919
Intermediate Similarity 0.7634 NPC231655
Intermediate Similarity 0.7634 NPC76540
Intermediate Similarity 0.7619 NPC96102
Intermediate Similarity 0.7619 NPC29886
Intermediate Similarity 0.7619 NPC261195
Intermediate Similarity 0.7597 NPC53947
Intermediate Similarity 0.7589 NPC27740
Intermediate Similarity 0.7584 NPC104483
Intermediate Similarity 0.7582 NPC201380
Intermediate Similarity 0.7582 NPC179787
Intermediate Similarity 0.758 NPC129721
Intermediate Similarity 0.7568 NPC105127
Intermediate Similarity 0.7566 NPC86288
Intermediate Similarity 0.7552 NPC471313
Intermediate Similarity 0.7552 NPC471311
Intermediate Similarity 0.755 NPC20144
Intermediate Similarity 0.7533 NPC59084
Intermediate Similarity 0.7532 NPC321911
Intermediate Similarity 0.7516 NPC51054
Intermediate Similarity 0.7516 NPC63545
Intermediate Similarity 0.75 NPC90723
Intermediate Similarity 0.7483 NPC473868
Intermediate Similarity 0.7483 NPC63157
Intermediate Similarity 0.7468 NPC469811
Intermediate Similarity 0.7451 NPC314372
Intermediate Similarity 0.7434 NPC190296
Intermediate Similarity 0.7432 NPC198988
Intermediate Similarity 0.7429 NPC215519
Intermediate Similarity 0.7421 NPC206819
Intermediate Similarity 0.7421 NPC318065
Intermediate Similarity 0.7417 NPC279081
Intermediate Similarity 0.7417 NPC2949
Intermediate Similarity 0.741 NPC162689
Intermediate Similarity 0.741 NPC54102
Intermediate Similarity 0.7403 NPC288838
Intermediate Similarity 0.7391 NPC478182
Intermediate Similarity 0.7389 NPC325903
Intermediate Similarity 0.7372 NPC105818
Intermediate Similarity 0.7372 NPC24678
Intermediate Similarity 0.7358 NPC286427
Intermediate Similarity 0.7355 NPC477974
Intermediate Similarity 0.7353 NPC235843
Intermediate Similarity 0.7347 NPC82295
Intermediate Similarity 0.7347 NPC471322
Intermediate Similarity 0.7343 NPC122718
Intermediate Similarity 0.7338 NPC285731
Intermediate Similarity 0.7312 NPC41257
Intermediate Similarity 0.7303 NPC230002
Intermediate Similarity 0.729 NPC143872
Intermediate Similarity 0.7278 NPC469786
Intermediate Similarity 0.7278 NPC259644
Intermediate Similarity 0.7278 NPC469765
Intermediate Similarity 0.7278 NPC200214
Intermediate Similarity 0.7278 NPC138842
Intermediate Similarity 0.7278 NPC25008
Intermediate Similarity 0.7278 NPC469760
Intermediate Similarity 0.7278 NPC73952
Intermediate Similarity 0.7278 NPC469763
Intermediate Similarity 0.7267 NPC215584
Intermediate Similarity 0.7267 NPC44773
Intermediate Similarity 0.7267 NPC325252
Intermediate Similarity 0.725 NPC236711
Intermediate Similarity 0.725 NPC216643
Intermediate Similarity 0.7244 NPC21605
Intermediate Similarity 0.7244 NPC471957
Intermediate Similarity 0.7237 NPC88097
Intermediate Similarity 0.7235 NPC83381
Intermediate Similarity 0.7233 NPC75540
Intermediate Similarity 0.7233 NPC211572
Intermediate Similarity 0.7233 NPC80597
Intermediate Similarity 0.7233 NPC70922
Intermediate Similarity 0.7233 NPC212376
Intermediate Similarity 0.723 NPC324611
Intermediate Similarity 0.7226 NPC159856
Intermediate Similarity 0.7222 NPC470203
Intermediate Similarity 0.7219 NPC65408
Intermediate Similarity 0.7205 NPC293487
Intermediate Similarity 0.72 NPC315617
Intermediate Similarity 0.72 NPC314058
Intermediate Similarity 0.72 NPC316018
Intermediate Similarity 0.72 NPC316359
Intermediate Similarity 0.7176 NPC83987
Intermediate Similarity 0.7169 NPC201634
Intermediate Similarity 0.7162 NPC22079
Intermediate Similarity 0.716 NPC470204
Intermediate Similarity 0.7152 NPC33421
Intermediate Similarity 0.7143 NPC167635
Intermediate Similarity 0.7143 NPC280852
Intermediate Similarity 0.7143 NPC193740
Intermediate Similarity 0.7125 NPC34844
Intermediate Similarity 0.7108 NPC194411
Intermediate Similarity 0.7107 NPC470823
Intermediate Similarity 0.7099 NPC135141
Intermediate Similarity 0.7099 NPC80681
Intermediate Similarity 0.7099 NPC92796
Intermediate Similarity 0.7097 NPC477977
Intermediate Similarity 0.7091 NPC474561
Intermediate Similarity 0.7091 NPC49954
Intermediate Similarity 0.7091 NPC478183
Intermediate Similarity 0.7081 NPC115049
Intermediate Similarity 0.7081 NPC469785
Intermediate Similarity 0.7075 NPC278451
Intermediate Similarity 0.7073 NPC317105
Intermediate Similarity 0.7073 NPC478184
Intermediate Similarity 0.7066 NPC82331
Intermediate Similarity 0.7063 NPC141926
Intermediate Similarity 0.7055 NPC122141
Intermediate Similarity 0.7041 NPC474958
Intermediate Similarity 0.7041 NPC203754
Intermediate Similarity 0.7041 NPC150048
Intermediate Similarity 0.7037 NPC469762
Intermediate Similarity 0.7023 NPC213774
Intermediate Similarity 0.7019 NPC476219
Intermediate Similarity 0.7019 NPC476297
Intermediate Similarity 0.7012 NPC225018
Intermediate Similarity 0.7012 NPC478185
Intermediate Similarity 0.7007 NPC476140
Intermediate Similarity 0.7006 NPC469525
Intermediate Similarity 0.7006 NPC470440
Intermediate Similarity 0.7006 NPC91895
Intermediate Similarity 0.7 NPC475450
Intermediate Similarity 0.7 NPC216713
Remote Similarity 0.6988 NPC98187
Remote Similarity 0.6988 NPC160105
Remote Similarity 0.6988 NPC56233
Remote Similarity 0.6982 NPC37423
Remote Similarity 0.6982 NPC275305
Remote Similarity 0.697 NPC311276
Remote Similarity 0.697 NPC265100
Remote Similarity 0.6968 NPC115611
Remote Similarity 0.6959 NPC248462
Remote Similarity 0.6946 NPC201700
Remote Similarity 0.694 NPC471617
Remote Similarity 0.6933 NPC469897
Remote Similarity 0.6933 NPC475428
Remote Similarity 0.6928 NPC218268
Remote Similarity 0.6928 NPC274229
Remote Similarity 0.6914 NPC229055
Remote Similarity 0.6909 NPC124542
Remote Similarity 0.6909 NPC59779
Remote Similarity 0.6909 NPC471177
Remote Similarity 0.6909 NPC282231

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  274.12
ALogP  0.6514
MLogP  2.89
XLogP  4.288
HDA  2
HBD  0
Rotatable Bonds  8
TPSA  16.13
RO5 Violation  0