Drug Information

Drug ID:  NPD2077
Drug Name:  Carbinoxamine
Molecular Formula:  C16H19ClN2O
Canonical SMILES:  CN(CCOC(c1ccccn1)c1ccc(cc1)Cl)C
Standard InCHI:  InChI=1S/C16H19ClN2O/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3
Standard InCHIKey:  OJFSXZCBGQGRNV-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD2077

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 0.8217 NPC315348
Intermediate Similarity 0.8217 NPC32002
Intermediate Similarity 0.7803 NPC116961
Intermediate Similarity 0.775 NPC471312
Intermediate Similarity 0.7727 NPC203754
Intermediate Similarity 0.7727 NPC150048
Intermediate Similarity 0.7684 NPC211997
Intermediate Similarity 0.7667 NPC284678
Intermediate Similarity 0.7627 NPC134586
Intermediate Similarity 0.7576 NPC471323
Intermediate Similarity 0.7547 NPC256893
Intermediate Similarity 0.7485 NPC476464
Intermediate Similarity 0.7433 NPC198673
Intermediate Similarity 0.7377 NPC284559
Intermediate Similarity 0.7368 NPC168911
Intermediate Similarity 0.733 NPC123395
Intermediate Similarity 0.7314 NPC471177
Intermediate Similarity 0.7314 NPC177404
Intermediate Similarity 0.7314 NPC124542
Intermediate Similarity 0.7314 NPC59779
Intermediate Similarity 0.7302 NPC135950
Intermediate Similarity 0.7277 NPC239954
Intermediate Similarity 0.7263 NPC158129
Intermediate Similarity 0.7232 NPC471178
Intermediate Similarity 0.7231 NPC329708
Intermediate Similarity 0.7231 NPC264166
Intermediate Similarity 0.7231 NPC274291
Intermediate Similarity 0.7231 NPC165349
Intermediate Similarity 0.7231 NPC47059
Intermediate Similarity 0.7231 NPC118832
Intermediate Similarity 0.7225 NPC267928
Intermediate Similarity 0.7189 NPC207851
Intermediate Similarity 0.7188 NPC471311
Intermediate Similarity 0.7188 NPC471313
Intermediate Similarity 0.7175 NPC311276
Intermediate Similarity 0.7168 NPC26872
Intermediate Similarity 0.7151 NPC62510
Intermediate Similarity 0.715 NPC103361
Intermediate Similarity 0.7143 NPC129721
Intermediate Similarity 0.7135 NPC48938
Intermediate Similarity 0.7113 NPC19872
Intermediate Similarity 0.7111 NPC473764
Intermediate Similarity 0.7111 NPC314940
Intermediate Similarity 0.7108 NPC314102
Intermediate Similarity 0.7108 NPC251722
Intermediate Similarity 0.7105 NPC195268
Intermediate Similarity 0.7105 NPC133140
Intermediate Similarity 0.7102 NPC477591
Intermediate Similarity 0.7092 NPC475774
Intermediate Similarity 0.7079 NPC118511
Intermediate Similarity 0.7079 NPC469813
Intermediate Similarity 0.7079 NPC78375
Intermediate Similarity 0.7079 NPC476446
Intermediate Similarity 0.7048 NPC328029
Intermediate Similarity 0.7045 NPC26850
Intermediate Similarity 0.7029 NPC477815
Intermediate Similarity 0.7024 NPC316811
Intermediate Similarity 0.7022 NPC71079
Intermediate Similarity 0.7014 NPC300114
Intermediate Similarity 0.701 NPC212213
Intermediate Similarity 0.7005 NPC476138
Intermediate Similarity 0.7005 NPC320394
Intermediate Similarity 0.7005 NPC245816
Intermediate Similarity 0.7 NPC41717
Remote Similarity 0.6989 NPC219963
Remote Similarity 0.6989 NPC470474
Remote Similarity 0.6987 NPC297486
Remote Similarity 0.6987 NPC240136
Remote Similarity 0.6987 NPC471402
Remote Similarity 0.6983 NPC474217
Remote Similarity 0.6983 NPC102423
Remote Similarity 0.6975 NPC212125
Remote Similarity 0.6966 NPC131718
Remote Similarity 0.6963 NPC92111
Remote Similarity 0.695 NPC287208
Remote Similarity 0.6944 NPC477975
Remote Similarity 0.6943 NPC91958
Remote Similarity 0.694 NPC313791
Remote Similarity 0.6937 NPC290094
Remote Similarity 0.6937 NPC46358
Remote Similarity 0.6934 NPC315062
Remote Similarity 0.6933 NPC89490
Remote Similarity 0.6923 NPC476518
Remote Similarity 0.6911 NPC76748
Remote Similarity 0.6911 NPC471593
Remote Similarity 0.6911 NPC3715
Remote Similarity 0.6909 NPC324611
Remote Similarity 0.6907 NPC109922
Remote Similarity 0.6906 NPC98187
Remote Similarity 0.6906 NPC278366
Remote Similarity 0.6906 NPC127730
Remote Similarity 0.6898 NPC266551
Remote Similarity 0.6898 NPC161887
Remote Similarity 0.6894 NPC476322
Remote Similarity 0.6893 NPC469785
Remote Similarity 0.689 NPC329896
Remote Similarity 0.689 NPC475090
Remote Similarity 0.689 NPC475105
Remote Similarity 0.6889 NPC473057
Remote Similarity 0.6889 NPC263439
Remote Similarity 0.6888 NPC476578
Remote Similarity 0.6888 NPC476582
Remote Similarity 0.6888 NPC4071
Remote Similarity 0.6885 NPC121658
Remote Similarity 0.6885 NPC249614
Remote Similarity 0.6885 NPC14651
Remote Similarity 0.6884 NPC327592
Remote Similarity 0.6882 NPC141377
Remote Similarity 0.6881 NPC123839
Remote Similarity 0.6878 NPC20249
Remote Similarity 0.6875 NPC73952
Remote Similarity 0.6875 NPC469786
Remote Similarity 0.6875 NPC469765
Remote Similarity 0.6875 NPC469760
Remote Similarity 0.6875 NPC259644
Remote Similarity 0.6875 NPC469763
Remote Similarity 0.6875 NPC25008
Remote Similarity 0.6872 NPC192712
Remote Similarity 0.6871 NPC165370
Remote Similarity 0.6859 NPC296527
Remote Similarity 0.6854 NPC138018
Remote Similarity 0.6854 NPC469762
Remote Similarity 0.6854 NPC267853
Remote Similarity 0.6853 NPC477019
Remote Similarity 0.6851 NPC85918
Remote Similarity 0.685 NPC317373
Remote Similarity 0.6848 NPC111624
Remote Similarity 0.6845 NPC168486
Remote Similarity 0.6845 NPC222592
Remote Similarity 0.6842 NPC476454
Remote Similarity 0.6837 NPC316411
Remote Similarity 0.6836 NPC80597
Remote Similarity 0.6836 NPC70922
Remote Similarity 0.6836 NPC75540
Remote Similarity 0.6836 NPC211572
Remote Similarity 0.6836 NPC212376
Remote Similarity 0.6828 NPC293472
Remote Similarity 0.6828 NPC283152
Remote Similarity 0.6824 NPC104483
Remote Similarity 0.6823 NPC95783
Remote Similarity 0.6823 NPC469489
Remote Similarity 0.6822 NPC244897
Remote Similarity 0.6818 NPC153769
Remote Similarity 0.6814 NPC118940
Remote Similarity 0.6814 NPC26679
Remote Similarity 0.6813 NPC265605
Remote Similarity 0.6813 NPC48564
Remote Similarity 0.6813 NPC182570
Remote Similarity 0.6812 NPC197141
Remote Similarity 0.6812 NPC314270
Remote Similarity 0.681 NPC169625
Remote Similarity 0.681 NPC202957
Remote Similarity 0.6809 NPC192270
Remote Similarity 0.6805 NPC150259
Remote Similarity 0.6804 NPC307963
Remote Similarity 0.6804 NPC289786
Remote Similarity 0.6802 NPC287437
Remote Similarity 0.68 NPC285558
Remote Similarity 0.68 NPC476581
Remote Similarity 0.68 NPC36229
Remote Similarity 0.68 NPC16452
Remote Similarity 0.6798 NPC290689
Remote Similarity 0.6796 NPC40779
Remote Similarity 0.6796 NPC97367
Remote Similarity 0.6793 NPC252590
Remote Similarity 0.6789 NPC282103
Remote Similarity 0.6784 NPC473761
Remote Similarity 0.6782 NPC266249
Remote Similarity 0.678 NPC107287
Remote Similarity 0.6778 NPC81229
Remote Similarity 0.6778 NPC255229
Remote Similarity 0.6774 NPC177056
Remote Similarity 0.6774 NPC104712
Remote Similarity 0.6772 NPC133306
Remote Similarity 0.6768 NPC176538
Remote Similarity 0.6768 NPC315957
Remote Similarity 0.6768 NPC306397
Remote Similarity 0.6761 NPC105818
Remote Similarity 0.6761 NPC24678
Remote Similarity 0.6747 NPC69914
Remote Similarity 0.6746 NPC29702
Remote Similarity 0.6742 NPC63562
Remote Similarity 0.6738 NPC151939
Remote Similarity 0.6734 NPC232727
Remote Similarity 0.6732 NPC318299
Remote Similarity 0.673 NPC143603
Remote Similarity 0.6722 NPC230869
Remote Similarity 0.6721 NPC49954
Remote Similarity 0.6721 NPC474561
Remote Similarity 0.672 NPC312872
Remote Similarity 0.6718 NPC226202
Remote Similarity 0.6716 NPC470505
Remote Similarity 0.6716 NPC470500
Remote Similarity 0.6716 NPC289086
Remote Similarity 0.6705 NPC470394
Remote Similarity 0.6705 NPC470404
Remote Similarity 0.6705 NPC470403
Remote Similarity 0.6704 NPC169586
Remote Similarity 0.6704 NPC141353
Remote Similarity 0.6703 NPC470498

Drug Structure

External Identifiers

TTD   DAP001069
DrugBank   DB00748
ChEMBL   CHEMBL864
IUPHAR/BPS   7139
PharmaGKB   PA164746898
KEGG Drug  
PubChem CID   2564
ChEBI   3398
CAS Number  486-16-8

Drug Properties

Molecular Weight  290.12
ALogP  0.7808
MLogP  2.78
XLogP  3.545
HDA  3
HBD  0
Rotatable Bonds  9
TPSA  25.36
RO5 Violation  0