Drug Information

Drug ID:  NPD3983
Drug Name:  Phenserine
Molecular Formula:  C20H23N3O2
Canonical SMILES:  CN1CC[C@@]2([C@H]1N(C)c1c2cc(cc1)OC(=Nc1ccccc1)O)C
Standard InCHI:  InChI=1S/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18-,20+/m1/s1
Standard InCHIKey:  PBHFNBQPZCRWQP-QUCCMNQESA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD3983

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 0.9737 NPC230942
High Similarity 0.9737 NPC315498
High Similarity 0.949 NPC85482
High Similarity 0.8875 NPC70172
Intermediate Similarity 0.7784 NPC469428
Intermediate Similarity 0.7765 NPC24954
Intermediate Similarity 0.7569 NPC21425
Intermediate Similarity 0.7407 NPC127178
Intermediate Similarity 0.7391 NPC473569
Intermediate Similarity 0.7391 NPC5630
Intermediate Similarity 0.7337 NPC477186
Intermediate Similarity 0.7333 NPC287588
Intermediate Similarity 0.7316 NPC138830
Intermediate Similarity 0.7312 NPC79213
Intermediate Similarity 0.7273 NPC33507
Intermediate Similarity 0.7268 NPC249405
Intermediate Similarity 0.7225 NPC25897
Intermediate Similarity 0.7213 NPC179704
Intermediate Similarity 0.7204 NPC474904
Intermediate Similarity 0.7202 NPC475774
Intermediate Similarity 0.7184 NPC93653
Intermediate Similarity 0.7181 NPC307963
Intermediate Similarity 0.7166 NPC22476
Intermediate Similarity 0.7165 NPC475147
Intermediate Similarity 0.7158 NPC98197
Intermediate Similarity 0.7158 NPC176127
Intermediate Similarity 0.7151 NPC217294
Intermediate Similarity 0.7128 NPC204970
Intermediate Similarity 0.7127 NPC285941
Intermediate Similarity 0.7112 NPC312531
Intermediate Similarity 0.711 NPC315257
Intermediate Similarity 0.7105 NPC162653
Intermediate Similarity 0.709 NPC302001
Intermediate Similarity 0.709 NPC203972
Intermediate Similarity 0.7085 NPC119722
Intermediate Similarity 0.7077 NPC470484
Intermediate Similarity 0.7074 NPC92111
Intermediate Similarity 0.7072 NPC225857
Intermediate Similarity 0.7069 NPC78733
Intermediate Similarity 0.7068 NPC161804
Intermediate Similarity 0.7065 NPC234772
Intermediate Similarity 0.7062 NPC52801
Intermediate Similarity 0.7049 NPC85613
Intermediate Similarity 0.7049 NPC5167
Intermediate Similarity 0.7043 NPC276674
Intermediate Similarity 0.7043 NPC33902
Intermediate Similarity 0.7041 NPC472111
Intermediate Similarity 0.7035 NPC13397
Intermediate Similarity 0.7021 NPC76748
Intermediate Similarity 0.702 NPC475133
Intermediate Similarity 0.702 NPC168250
Intermediate Similarity 0.7018 NPC475959
Intermediate Similarity 0.7006 NPC471314
Intermediate Similarity 0.7006 NPC215829
Intermediate Similarity 0.7006 NPC97072
Intermediate Similarity 0.7006 NPC471315
Intermediate Similarity 0.7 NPC127996
Remote Similarity 0.6985 NPC269449
Remote Similarity 0.6984 NPC470483
Remote Similarity 0.6971 NPC93593
Remote Similarity 0.6968 NPC296527
Remote Similarity 0.6965 NPC473006
Remote Similarity 0.6963 NPC243626
Remote Similarity 0.6961 NPC288110
Remote Similarity 0.6961 NPC477185
Remote Similarity 0.6959 NPC329793
Remote Similarity 0.6954 NPC210148
Remote Similarity 0.6954 NPC261388
Remote Similarity 0.6954 NPC233029
Remote Similarity 0.695 NPC82541
Remote Similarity 0.6943 NPC71124
Remote Similarity 0.694 NPC477187
Remote Similarity 0.6932 NPC471122
Remote Similarity 0.6931 NPC474059
Remote Similarity 0.6931 NPC174629
Remote Similarity 0.6927 NPC251090
Remote Similarity 0.6923 NPC311991
Remote Similarity 0.6919 NPC190461
Remote Similarity 0.6915 NPC472098
Remote Similarity 0.6914 NPC292003
Remote Similarity 0.6911 NPC470485
Remote Similarity 0.6906 NPC471604
Remote Similarity 0.6904 NPC87714
Remote Similarity 0.6895 NPC203628
Remote Similarity 0.6894 NPC172403
Remote Similarity 0.6881 NPC478074
Remote Similarity 0.6878 NPC320088
Remote Similarity 0.6875 NPC198401
Remote Similarity 0.6872 NPC67904
Remote Similarity 0.6869 NPC246140
Remote Similarity 0.6869 NPC475841
Remote Similarity 0.6869 NPC195787
Remote Similarity 0.6869 NPC474145
Remote Similarity 0.6868 NPC290759
Remote Similarity 0.6868 NPC266176
Remote Similarity 0.6868 NPC158148
Remote Similarity 0.6868 NPC82533
Remote Similarity 0.6863 NPC126556
Remote Similarity 0.6859 NPC473004
Remote Similarity 0.6857 NPC223124
Remote Similarity 0.6856 NPC100863
Remote Similarity 0.6853 NPC223427
Remote Similarity 0.685 NPC469589
Remote Similarity 0.6848 NPC228040
Remote Similarity 0.6845 NPC314682
Remote Similarity 0.6842 NPC185838
Remote Similarity 0.6837 NPC295676
Remote Similarity 0.6836 NPC234392
Remote Similarity 0.6836 NPC31311
Remote Similarity 0.6834 NPC478075
Remote Similarity 0.6832 NPC159815
Remote Similarity 0.6832 NPC94157
Remote Similarity 0.6829 NPC96321
Remote Similarity 0.6823 NPC254957
Remote Similarity 0.6821 NPC5374
Remote Similarity 0.6816 NPC471304
Remote Similarity 0.6811 NPC94174
Remote Similarity 0.6807 NPC11147
Remote Similarity 0.6805 NPC213206
Remote Similarity 0.6805 NPC474915
Remote Similarity 0.6805 NPC188163
Remote Similarity 0.6805 NPC328750
Remote Similarity 0.6802 NPC474077
Remote Similarity 0.68 NPC476465
Remote Similarity 0.6798 NPC266931
Remote Similarity 0.6793 NPC225597
Remote Similarity 0.6793 NPC477640
Remote Similarity 0.6793 NPC65403
Remote Similarity 0.6793 NPC470739
Remote Similarity 0.678 NPC41178
Remote Similarity 0.678 NPC216459
Remote Similarity 0.678 NPC76079
Remote Similarity 0.678 NPC138487
Remote Similarity 0.6778 NPC471124
Remote Similarity 0.6776 NPC475686
Remote Similarity 0.6776 NPC58766
Remote Similarity 0.6774 NPC70092
Remote Similarity 0.6772 NPC204385
Remote Similarity 0.6769 NPC23080
Remote Similarity 0.6769 NPC193906
Remote Similarity 0.6768 NPC207971
Remote Similarity 0.6766 NPC7018
Remote Similarity 0.6763 NPC318525
Remote Similarity 0.6763 NPC321505
Remote Similarity 0.6763 NPC191376
Remote Similarity 0.6763 NPC132642
Remote Similarity 0.6763 NPC476151
Remote Similarity 0.6763 NPC179825
Remote Similarity 0.6763 NPC10653
Remote Similarity 0.6761 NPC148898
Remote Similarity 0.676 NPC477080
Remote Similarity 0.676 NPC111485
Remote Similarity 0.6758 NPC476002
Remote Similarity 0.6753 NPC303214
Remote Similarity 0.6748 NPC471321
Remote Similarity 0.6748 NPC471306
Remote Similarity 0.6743 NPC223125
Remote Similarity 0.6742 NPC146288
Remote Similarity 0.6742 NPC147091
Remote Similarity 0.674 NPC320104
Remote Similarity 0.6739 NPC474475
Remote Similarity 0.6738 NPC206201
Remote Similarity 0.6738 NPC15919
Remote Similarity 0.6735 NPC212163
Remote Similarity 0.6734 NPC244606
Remote Similarity 0.6734 NPC14339
Remote Similarity 0.6734 NPC268077
Remote Similarity 0.6734 NPC156728
Remote Similarity 0.6731 NPC46259
Remote Similarity 0.673 NPC473458
Remote Similarity 0.6727 NPC118419
Remote Similarity 0.6726 NPC193528
Remote Similarity 0.6724 NPC147390
Remote Similarity 0.6724 NPC476571
Remote Similarity 0.6724 NPC246587
Remote Similarity 0.6724 NPC24233
Remote Similarity 0.6724 NPC135538
Remote Similarity 0.6724 NPC428
Remote Similarity 0.6724 NPC318086
Remote Similarity 0.6723 NPC10730
Remote Similarity 0.6723 NPC10875
Remote Similarity 0.6722 NPC232924
Remote Similarity 0.6722 NPC160298
Remote Similarity 0.6722 NPC306902
Remote Similarity 0.6722 NPC477559
Remote Similarity 0.6722 NPC266753
Remote Similarity 0.6721 NPC100566
Remote Similarity 0.6721 NPC298979
Remote Similarity 0.672 NPC473007
Remote Similarity 0.6718 NPC272706
Remote Similarity 0.6718 NPC472191
Remote Similarity 0.6716 NPC471080
Remote Similarity 0.6716 NPC469592
Remote Similarity 0.6715 NPC108826
Remote Similarity 0.6715 NPC222046
Remote Similarity 0.6709 NPC17388
Remote Similarity 0.6709 NPC289330
Remote Similarity 0.6709 NPC53596
Remote Similarity 0.6709 NPC471308
Remote Similarity 0.6709 NPC160120

Drug Structure

External Identifiers

TTD   DIB013630
DrugBank   DB04892
ChEMBL   CHEMBL74926
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   192706
ChEBI  
CAS Number  101246-66-6

Drug Properties

Molecular Weight  337.18
ALogP  1.3718
MLogP  3.11
XLogP  5.223
HDA  4
HBD  1
Rotatable Bonds  7
TPSA  48.3
RO5 Violation  1