Drug Information

Drug ID:  NPD5742
Drug Name:  Prajmalium
Molecular Formula:  C23H33N2O2
Canonical SMILES:  CCC[N+]12[C@H]3C[C@@]45[C@H]([C@@H]2C[C@H]([C@H]3[C@H]4O)[C@@H]([C@H]1O)CC)N(C)c1c5cccc1
Standard InCHI:  InChI=1S/C23H33N2O2/c1-4-10-25-17-11-14(13(5-2)22(25)27)19-18(25)12-23(21(19)26)15-8-6-7-9-16(15)24(3)20(17)23/h6-9,13-14,17-22,26-27H,4-5,10-12H2,1-3H3/q+1/t13-,14-,17-,18-,19+,20-,21+,22+,23+,25?/m0/s1
Standard InCHIKey:  UAUHEPXILIZYCU-GSPNQRMKSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD5742

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 0.875 NPC476441
Intermediate Similarity 0.8395 NPC476425
Intermediate Similarity 0.8355 NPC472100
Intermediate Similarity 0.8323 NPC469462
Intermediate Similarity 0.8313 NPC476428
Intermediate Similarity 0.8153 NPC478076
Intermediate Similarity 0.8024 NPC476326
Intermediate Similarity 0.7987 NPC472103
Intermediate Similarity 0.7866 NPC472106
Intermediate Similarity 0.7853 NPC472120
Intermediate Similarity 0.7853 NPC472101
Intermediate Similarity 0.773 NPC469461
Intermediate Similarity 0.7722 NPC212799
Intermediate Similarity 0.7658 NPC264589
Intermediate Similarity 0.7643 NPC311330
Intermediate Similarity 0.7636 NPC85651
Intermediate Similarity 0.7636 NPC472117
Intermediate Similarity 0.7605 NPC472114
Intermediate Similarity 0.7605 NPC472115
Intermediate Similarity 0.7576 NPC309531
Intermediate Similarity 0.7576 NPC472102
Intermediate Similarity 0.7558 NPC133261
Intermediate Similarity 0.7543 NPC472209
Intermediate Similarity 0.75 NPC29285
Intermediate Similarity 0.7469 NPC475763
Intermediate Similarity 0.7443 NPC469460
Intermediate Similarity 0.7442 NPC24594
Intermediate Similarity 0.7442 NPC472122
Intermediate Similarity 0.7427 NPC473880
Intermediate Similarity 0.7414 NPC187827
Intermediate Similarity 0.7414 NPC472105
Intermediate Similarity 0.7399 NPC326575
Intermediate Similarity 0.7394 NPC477156
Intermediate Similarity 0.7394 NPC477157
Intermediate Similarity 0.7389 NPC243162
Intermediate Similarity 0.731 NPC472118
Intermediate Similarity 0.7262 NPC477158
Intermediate Similarity 0.7246 NPC113946
Intermediate Similarity 0.7235 NPC475420
Intermediate Similarity 0.7232 NPC472110
Intermediate Similarity 0.7232 NPC472109
Intermediate Similarity 0.7232 NPC472108
Intermediate Similarity 0.7232 NPC139291
Intermediate Similarity 0.7225 NPC472123
Intermediate Similarity 0.7219 NPC176983
Intermediate Similarity 0.7204 NPC475489
Intermediate Similarity 0.7182 NPC105055
Intermediate Similarity 0.7182 NPC22689
Intermediate Similarity 0.716 NPC81229
Intermediate Similarity 0.716 NPC255229
Intermediate Similarity 0.7126 NPC298851
Intermediate Similarity 0.7126 NPC210415
Intermediate Similarity 0.7126 NPC21752
Intermediate Similarity 0.7126 NPC181138
Intermediate Similarity 0.7126 NPC293255
Intermediate Similarity 0.7126 NPC276993
Intermediate Similarity 0.7091 NPC318086
Intermediate Similarity 0.7086 NPC475097
Intermediate Similarity 0.7062 NPC99043
Intermediate Similarity 0.7062 NPC218594
Intermediate Similarity 0.7059 NPC474058
Intermediate Similarity 0.7056 NPC476095
Intermediate Similarity 0.7052 NPC317430
Intermediate Similarity 0.7043 NPC475559
Intermediate Similarity 0.7041 NPC211525
Intermediate Similarity 0.7041 NPC153694
Intermediate Similarity 0.7039 NPC477159
Intermediate Similarity 0.7035 NPC52059
Intermediate Similarity 0.7035 NPC470069
Intermediate Similarity 0.7018 NPC472121
Intermediate Similarity 0.7018 NPC286871
Intermediate Similarity 0.7 NPC243673
Intermediate Similarity 0.7 NPC63210
Intermediate Similarity 0.7 NPC263709
Intermediate Similarity 0.7 NPC310403
Intermediate Similarity 0.7 NPC97380
Intermediate Similarity 0.7 NPC148468
Remote Similarity 0.6951 NPC116519
Remote Similarity 0.6944 NPC472104
Remote Similarity 0.6944 NPC256288
Remote Similarity 0.6932 NPC473743
Remote Similarity 0.6932 NPC139085
Remote Similarity 0.6932 NPC214626
Remote Similarity 0.6932 NPC251212
Remote Similarity 0.6927 NPC15840
Remote Similarity 0.6914 NPC186284
Remote Similarity 0.6914 NPC22082
Remote Similarity 0.6906 NPC2933
Remote Similarity 0.6902 NPC469501
Remote Similarity 0.6902 NPC469470
Remote Similarity 0.6901 NPC471122
Remote Similarity 0.6868 NPC259626
Remote Similarity 0.6862 NPC302548
Remote Similarity 0.686 NPC143457
Remote Similarity 0.686 NPC225319
Remote Similarity 0.686 NPC315368
Remote Similarity 0.6856 NPC471945
Remote Similarity 0.6856 NPC471950
Remote Similarity 0.6854 NPC264482
Remote Similarity 0.6854 NPC203202
Remote Similarity 0.6851 NPC19679
Remote Similarity 0.6842 NPC249040
Remote Similarity 0.6842 NPC475915
Remote Similarity 0.6831 NPC473615
Remote Similarity 0.6824 NPC161827
Remote Similarity 0.6823 NPC477179
Remote Similarity 0.6821 NPC471946
Remote Similarity 0.6821 NPC282339
Remote Similarity 0.6821 NPC471951
Remote Similarity 0.6821 NPC99632
Remote Similarity 0.6814 NPC476436
Remote Similarity 0.6813 NPC97584
Remote Similarity 0.6813 NPC472294
Remote Similarity 0.6802 NPC36495
Remote Similarity 0.68 NPC279527
Remote Similarity 0.68 NPC214960
Remote Similarity 0.6796 NPC475962
Remote Similarity 0.6793 NPC229484
Remote Similarity 0.6793 NPC285841
Remote Similarity 0.6788 NPC477180
Remote Similarity 0.6788 NPC477181
Remote Similarity 0.6788 NPC477178
Remote Similarity 0.6788 NPC254850
Remote Similarity 0.6782 NPC313757
Remote Similarity 0.6776 NPC52262
Remote Similarity 0.6772 NPC90967
Remote Similarity 0.6769 NPC475259
Remote Similarity 0.676 NPC320147
Remote Similarity 0.676 NPC129624
Remote Similarity 0.6757 NPC292675
Remote Similarity 0.6753 NPC472111
Remote Similarity 0.6753 NPC477173
Remote Similarity 0.6753 NPC470490
Remote Similarity 0.6753 NPC477174
Remote Similarity 0.6743 NPC70172
Remote Similarity 0.6743 NPC471124
Remote Similarity 0.6737 NPC52557
Remote Similarity 0.6723 NPC469915
Remote Similarity 0.6722 NPC260075
Remote Similarity 0.6721 NPC245741
Remote Similarity 0.672 NPC473569
Remote Similarity 0.6718 NPC470488
Remote Similarity 0.6703 NPC181928
Remote Similarity 0.6703 NPC21425
Remote Similarity 0.6703 NPC472323
Remote Similarity 0.6701 NPC475422
Remote Similarity 0.6685 NPC472107
Remote Similarity 0.6685 NPC158129
Remote Similarity 0.6685 NPC79062
Remote Similarity 0.6685 NPC6974
Remote Similarity 0.6684 NPC470483
Remote Similarity 0.6684 NPC471436
Remote Similarity 0.6684 NPC472097
Remote Similarity 0.6684 NPC87755
Remote Similarity 0.6667 NPC33507
Remote Similarity 0.6667 NPC203754
Remote Similarity 0.6667 NPC159963
Remote Similarity 0.6667 NPC150048
Remote Similarity 0.6667 NPC68650
Remote Similarity 0.6651 NPC476429
Remote Similarity 0.6649 NPC478077
Remote Similarity 0.6648 NPC477185
Remote Similarity 0.6647 NPC469428
Remote Similarity 0.6646 NPC315051
Remote Similarity 0.6631 NPC473298
Remote Similarity 0.663 NPC186669
Remote Similarity 0.663 NPC477187
Remote Similarity 0.6616 NPC475359
Remote Similarity 0.6616 NPC191817
Remote Similarity 0.6614 NPC470485
Remote Similarity 0.6611 NPC329688
Remote Similarity 0.6611 NPC189812
Remote Similarity 0.6611 NPC13367
Remote Similarity 0.6609 NPC193410
Remote Similarity 0.6599 NPC470491
Remote Similarity 0.6597 NPC162440
Remote Similarity 0.6596 NPC25401
Remote Similarity 0.6591 NPC469541
Remote Similarity 0.6582 NPC478079
Remote Similarity 0.6579 NPC221687
Remote Similarity 0.6579 NPC289299
Remote Similarity 0.6579 NPC57994
Remote Similarity 0.6578 NPC284706
Remote Similarity 0.6571 NPC248117
Remote Similarity 0.6564 NPC471123
Remote Similarity 0.6559 NPC282092
Remote Similarity 0.6556 NPC96901
Remote Similarity 0.6552 NPC61013
Remote Similarity 0.655 NPC66936
Remote Similarity 0.655 NPC154602
Remote Similarity 0.6548 NPC470824
Remote Similarity 0.6546 NPC471512
Remote Similarity 0.6545 NPC130251
Remote Similarity 0.6541 NPC258480
Remote Similarity 0.6541 NPC472119
Remote Similarity 0.6531 NPC329833
Remote Similarity 0.6524 NPC14994
Remote Similarity 0.6519 NPC472586
Remote Similarity 0.6517 NPC278887
Remote Similarity 0.6506 NPC470301

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  369.25
ALogP  -3.7503
MLogP  3.55
XLogP  3.2
HDA  3
HBD  2
Rotatable Bonds  8
TPSA  43.7
RO5 Violation  0