Drug Information

Drug ID:  NPD3448
Drug Name:  nalorphine
Molecular Formula:  C19H21NO3
Canonical SMILES:  C=CCN1CC[C@@]23[C@@H]4[C@H]1Cc1c3c(O[C@H]2[C@H](C=C4)O)c(cc1)O
Standard InCHI:  InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1
Standard InCHIKey:  UIQMVEYFGZJHCZ-SSTWWWIQSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD3448

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 NPC243483
High Similarity 0.9889 NPC232533
High Similarity 0.9779 NPC97086
High Similarity 0.967 NPC43069
High Similarity 0.967 NPC140577
High Similarity 0.962 NPC126211
High Similarity 0.9563 NPC67346
High Similarity 0.9358 NPC157958
High Similarity 0.9341 NPC174783
High Similarity 0.9091 NPC311781
High Similarity 0.8649 NPC214629
Intermediate Similarity 0.8486 NPC298339
Intermediate Similarity 0.8402 NPC201055
Intermediate Similarity 0.8402 NPC254045
Intermediate Similarity 0.8402 NPC64576
Intermediate Similarity 0.8402 NPC151470
Intermediate Similarity 0.8387 NPC115906
Intermediate Similarity 0.8177 NPC196231
Intermediate Similarity 0.8115 NPC162694
Intermediate Similarity 0.8103 NPC66909
Intermediate Similarity 0.8043 NPC124657
Intermediate Similarity 0.801 NPC279665
Intermediate Similarity 0.799 NPC244191
Intermediate Similarity 0.7906 NPC305847
Intermediate Similarity 0.7892 NPC255607
Intermediate Similarity 0.7892 NPC3375
Intermediate Similarity 0.7879 NPC293624
Intermediate Similarity 0.7868 NPC33256
Intermediate Similarity 0.7865 NPC302449
Intermediate Similarity 0.7749 NPC35680
Intermediate Similarity 0.773 NPC226428
Intermediate Similarity 0.7677 NPC94499
Intermediate Similarity 0.7663 NPC323443
Intermediate Similarity 0.7663 NPC180756
Intermediate Similarity 0.7634 NPC475780
Intermediate Similarity 0.761 NPC80472
Intermediate Similarity 0.761 NPC476500
Intermediate Similarity 0.7487 NPC470324
Intermediate Similarity 0.7465 NPC82056
Intermediate Similarity 0.7463 NPC286135
Intermediate Similarity 0.7447 NPC205167
Intermediate Similarity 0.7447 NPC249274
Intermediate Similarity 0.7435 NPC284842
Intermediate Similarity 0.7423 NPC329969
Intermediate Similarity 0.7398 NPC32154
Intermediate Similarity 0.738 NPC147091
Intermediate Similarity 0.7371 NPC38964
Intermediate Similarity 0.7368 NPC324144
Intermediate Similarity 0.7358 NPC263212
Intermediate Similarity 0.7354 NPC27410
Intermediate Similarity 0.7354 NPC18402
Intermediate Similarity 0.7354 NPC166014
Intermediate Similarity 0.7351 NPC8337
Intermediate Similarity 0.7351 NPC85747
Intermediate Similarity 0.735 NPC141440
Intermediate Similarity 0.7344 NPC145832
Intermediate Similarity 0.7344 NPC474931
Intermediate Similarity 0.7344 NPC117188
Intermediate Similarity 0.7344 NPC205421
Intermediate Similarity 0.7344 NPC306555
Intermediate Similarity 0.7344 NPC12053
Intermediate Similarity 0.7344 NPC81218
Intermediate Similarity 0.7344 NPC158376
Intermediate Similarity 0.733 NPC13504
Intermediate Similarity 0.733 NPC477563
Intermediate Similarity 0.733 NPC136508
Intermediate Similarity 0.733 NPC306843
Intermediate Similarity 0.733 NPC78222
Intermediate Similarity 0.733 NPC253043
Intermediate Similarity 0.733 NPC96603
Intermediate Similarity 0.733 NPC212794
Intermediate Similarity 0.733 NPC35345
Intermediate Similarity 0.733 NPC196447
Intermediate Similarity 0.732 NPC227683
Intermediate Similarity 0.7317 NPC207239
Intermediate Similarity 0.7317 NPC267414
Intermediate Similarity 0.7312 NPC475718
Intermediate Similarity 0.731 NPC27887
Intermediate Similarity 0.7304 NPC24228
Intermediate Similarity 0.73 NPC230098
Intermediate Similarity 0.7296 NPC241704
Intermediate Similarity 0.7286 NPC94687
Intermediate Similarity 0.7286 NPC476495
Intermediate Similarity 0.7286 NPC106840
Intermediate Similarity 0.7277 NPC1229
Intermediate Similarity 0.7277 NPC476569
Intermediate Similarity 0.7273 NPC115869
Intermediate Similarity 0.7268 NPC83019
Intermediate Similarity 0.7263 NPC135006
Intermediate Similarity 0.7259 NPC114364
Intermediate Similarity 0.7259 NPC320223
Intermediate Similarity 0.7251 NPC46990
Intermediate Similarity 0.7245 NPC128560
Intermediate Similarity 0.7245 NPC229166
Intermediate Similarity 0.7245 NPC199465
Intermediate Similarity 0.7243 NPC469539
Intermediate Similarity 0.7243 NPC469540
Intermediate Similarity 0.7238 NPC326895
Intermediate Similarity 0.7236 NPC233718
Intermediate Similarity 0.7222 NPC126284
Intermediate Similarity 0.7222 NPC474745
Intermediate Similarity 0.7222 NPC149285
Intermediate Similarity 0.7222 NPC99179
Intermediate Similarity 0.722 NPC204580
Intermediate Similarity 0.7204 NPC474556
Intermediate Similarity 0.7196 NPC476443
Intermediate Similarity 0.7196 NPC133817
Intermediate Similarity 0.7192 NPC63152
Intermediate Similarity 0.7184 NPC17677
Intermediate Similarity 0.7179 NPC168753
Intermediate Similarity 0.7179 NPC118274
Intermediate Similarity 0.7172 NPC474325
Intermediate Similarity 0.7172 NPC21885
Intermediate Similarity 0.717 NPC476496
Intermediate Similarity 0.7165 NPC298979
Intermediate Similarity 0.7163 NPC471489
Intermediate Similarity 0.7158 NPC180901
Intermediate Similarity 0.7158 NPC78359
Intermediate Similarity 0.7158 NPC300757
Intermediate Similarity 0.7158 NPC315707
Intermediate Similarity 0.7158 NPC65490
Intermediate Similarity 0.7158 NPC148014
Intermediate Similarity 0.7158 NPC40389
Intermediate Similarity 0.715 NPC116284
Intermediate Similarity 0.715 NPC248642
Intermediate Similarity 0.7143 NPC239775
Intermediate Similarity 0.7143 NPC131121
Intermediate Similarity 0.7135 NPC228501
Intermediate Similarity 0.7129 NPC8927
Intermediate Similarity 0.7128 NPC164429
Intermediate Similarity 0.7128 NPC470924
Intermediate Similarity 0.7123 NPC207873
Intermediate Similarity 0.7123 NPC100573
Intermediate Similarity 0.7121 NPC237044
Intermediate Similarity 0.712 NPC118804
Intermediate Similarity 0.712 NPC288353
Intermediate Similarity 0.7115 NPC474427
Intermediate Similarity 0.7114 NPC474746
Intermediate Similarity 0.7114 NPC156576
Intermediate Similarity 0.7114 NPC475981
Intermediate Similarity 0.7113 NPC476573
Intermediate Similarity 0.7113 NPC35627
Intermediate Similarity 0.7113 NPC81247
Intermediate Similarity 0.7108 NPC226708
Intermediate Similarity 0.7107 NPC192135
Intermediate Similarity 0.7107 NPC66341
Intermediate Similarity 0.7107 NPC477020
Intermediate Similarity 0.7098 NPC21046
Intermediate Similarity 0.7098 NPC472961
Intermediate Similarity 0.7098 NPC472962
Intermediate Similarity 0.7092 NPC329911
Intermediate Similarity 0.7092 NPC26240
Intermediate Similarity 0.7092 NPC69712
Intermediate Similarity 0.7092 NPC477562
Intermediate Similarity 0.7085 NPC148693
Intermediate Similarity 0.7085 NPC118633
Intermediate Similarity 0.7085 NPC294790
Intermediate Similarity 0.7083 NPC4304
Intermediate Similarity 0.7077 NPC181653
Intermediate Similarity 0.7077 NPC210140
Intermediate Similarity 0.7077 NPC190332
Intermediate Similarity 0.7074 NPC472837
Intermediate Similarity 0.7071 NPC304675
Intermediate Similarity 0.7068 NPC478161
Intermediate Similarity 0.7068 NPC478159
Intermediate Similarity 0.7065 NPC47191
Intermediate Similarity 0.7056 NPC186392
Intermediate Similarity 0.7056 NPC129578
Intermediate Similarity 0.7056 NPC476331
Intermediate Similarity 0.7053 NPC474432
Intermediate Similarity 0.7053 NPC475713
Intermediate Similarity 0.7049 NPC908
Intermediate Similarity 0.7049 NPC138438
Intermediate Similarity 0.7047 NPC153631
Intermediate Similarity 0.7044 NPC228209
Intermediate Similarity 0.7041 NPC160570
Intermediate Similarity 0.7041 NPC41689
Intermediate Similarity 0.7037 NPC133011
Intermediate Similarity 0.7037 NPC82285
Intermediate Similarity 0.7035 NPC316292
Intermediate Similarity 0.7035 NPC222524
Intermediate Similarity 0.703 NPC135772
Intermediate Similarity 0.703 NPC244903
Intermediate Similarity 0.703 NPC104682
Intermediate Similarity 0.7024 NPC240808
Intermediate Similarity 0.7021 NPC68967
Intermediate Similarity 0.7019 NPC46744
Intermediate Similarity 0.7019 NPC124302
Intermediate Similarity 0.7019 NPC70290
Intermediate Similarity 0.7019 NPC73020
Intermediate Similarity 0.7019 NPC215098
Intermediate Similarity 0.7019 NPC14622
Intermediate Similarity 0.7015 NPC312918
Intermediate Similarity 0.7015 NPC155442
Intermediate Similarity 0.7015 NPC476574
Intermediate Similarity 0.7015 NPC477561
Intermediate Similarity 0.701 NPC59567
Intermediate Similarity 0.701 NPC320104
Intermediate Similarity 0.7009 NPC315914
Intermediate Similarity 0.7005 NPC255787

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS   1629
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  311.15
ALogP  0.3623
MLogP  3.11
XLogP  0.727
HDA  4
HBD  2
Rotatable Bonds  4
TPSA  52.93
RO5 Violation  0