NPASS drugs

Drug Information

Drug ID:	NPD6071
Drug Name:	galantamine derivatives, Sanochemia
Molecular Formula:	C24H34N2O3
Canonical SMILES:	COc1ccc2c3c1O[C@H]1[C@@]3(C=C[C@@H](C1)O)CCN(C2)CCCN1CCCCC1
Standard InCHI:	InChI=1S/C24H34N2O3/c1-28-20-7-6-18-17-26(14-5-13-25-11-3-2-4-12-25)15-10-24-9-8-19(27)16-21(24)29-23(20)22(18)24/h6-9,19,21,27H,2-5,10-17H2,1H3/t19-,21+,24+/m0/s1
Standard InCHIKey:	JIMPGPISVDHAIE-XZDHIHRUSA-N
Max Developmental Stage:	Discontinued
Max Developmental Stage Source:	TTD

Structural Similarity Between NPASS Natural Products and NPD6071

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.

Range	Similarity Score Range
0-0.1	203
0.1-0.2	1064
0.2-0.3	2637
0.3-0.4	8251
0.4-0.5	4917
0.5-0.6	8170
0.6-0.7	4841
0.7-0.8	702
0.8-0.85	92
0.85-0.9	4
0.9-0.95	4
0.95-1	5

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	0.9608	NPC315707
High Similarity	0.9608	NPC78359
High Similarity	0.9608	NPC65490
High Similarity	0.9608	NPC40389
High Similarity	0.9608	NPC148014
High Similarity	0.9359	NPC18402
High Similarity	0.9355	NPC129603
High Similarity	0.9241	NPC124433
High Similarity	0.9241	NPC293871
High Similarity	0.8659	NPC124657
High Similarity	0.8571	NPC147091
High Similarity	0.8571	NPC323443
High Similarity	0.8571	NPC180756
Intermediate Similarity	0.8494	NPC284842
Intermediate Similarity	0.8491	NPC274026
Intermediate Similarity	0.8466	NPC59028
Intermediate Similarity	0.8466	NPC92191
Intermediate Similarity	0.8443	NPC204908
Intermediate Similarity	0.8443	NPC83198
Intermediate Similarity	0.8415	NPC249274
Intermediate Similarity	0.8343	NPC477640
Intermediate Similarity	0.8343	NPC225597
Intermediate Similarity	0.8343	NPC470739
Intermediate Similarity	0.8333	NPC58766
Intermediate Similarity	0.8333	NPC290759
Intermediate Similarity	0.8333	NPC158148
Intermediate Similarity	0.8333	NPC475686
Intermediate Similarity	0.8333	NPC82533
Intermediate Similarity	0.8333	NPC266176
Intermediate Similarity	0.8314	NPC244554
Intermediate Similarity	0.8303	NPC205167
Intermediate Similarity	0.8303	NPC215829
Intermediate Similarity	0.8303	NPC97072
Intermediate Similarity	0.8302	NPC476151
Intermediate Similarity	0.8294	NPC232386
Intermediate Similarity	0.8294	NPC152680
Intermediate Similarity	0.8294	NPC190783
Intermediate Similarity	0.8284	NPC474475
Intermediate Similarity	0.8272	NPC133011
Intermediate Similarity	0.8272	NPC82285
Intermediate Similarity	0.8246	NPC49353
Intermediate Similarity	0.8214	NPC476002
Intermediate Similarity	0.8199	NPC103379
Intermediate Similarity	0.8199	NPC477565
Intermediate Similarity	0.8198	NPC474470
Intermediate Similarity	0.8187	NPC2314
Intermediate Similarity	0.8176	NPC75958
Intermediate Similarity	0.8176	NPC130926
Intermediate Similarity	0.8176	NPC185838
Intermediate Similarity	0.8166	NPC150879
Intermediate Similarity	0.8166	NPC100566
Intermediate Similarity	0.8161	NPC305847
Intermediate Similarity	0.8114	NPC302449
Intermediate Similarity	0.8095	NPC320104
Intermediate Similarity	0.809	NPC206900
Intermediate Similarity	0.8075	NPC191376
Intermediate Similarity	0.8075	NPC179825
Intermediate Similarity	0.8075	NPC321505
Intermediate Similarity	0.807	NPC311991
Intermediate Similarity	0.8061	NPC78733
Intermediate Similarity	0.8059	NPC190332
Intermediate Similarity	0.8059	NPC181653
Intermediate Similarity	0.8057	NPC286119
Intermediate Similarity	0.8046	NPC15919
Intermediate Similarity	0.8036	NPC60186
Intermediate Similarity	0.8035	NPC187678
Intermediate Similarity	0.8025	NPC147390
Intermediate Similarity	0.8025	NPC246587
Intermediate Similarity	0.8025	NPC135538
Intermediate Similarity	0.8025	NPC476571
Intermediate Similarity	0.8025	NPC428
Intermediate Similarity	0.8025	NPC24233
Intermediate Similarity	0.8023	NPC476331
Intermediate Similarity	0.8023	NPC9867
Intermediate Similarity	0.8013	NPC301050
Intermediate Similarity	0.8013	NPC131204
Intermediate Similarity	0.8011	NPC239824
Intermediate Similarity	0.8011	NPC258657
Intermediate Similarity	0.8011	NPC251735
Intermediate Similarity	0.8011	NPC217748
Intermediate Similarity	0.8011	NPC54654
Intermediate Similarity	0.8011	NPC49075
Intermediate Similarity	0.8011	NPC290005
Intermediate Similarity	0.8011	NPC90998
Intermediate Similarity	0.8011	NPC15414
Intermediate Similarity	0.8011	NPC42663
Intermediate Similarity	0.8011	NPC182052
Intermediate Similarity	0.8011	NPC311973
Intermediate Similarity	0.8011	NPC290582
Intermediate Similarity	0.8011	NPC30779
Intermediate Similarity	0.8011	NPC185639
Intermediate Similarity	0.8011	NPC8836
Intermediate Similarity	0.8011	NPC181796
Intermediate Similarity	0.8011	NPC223690
Intermediate Similarity	0.8011	NPC104196
Intermediate Similarity	0.8011	NPC279228
Intermediate Similarity	0.8011	NPC285931
Intermediate Similarity	0.8011	NPC271013
Intermediate Similarity	0.8011	NPC328155
Intermediate Similarity	0.8011	NPC7715
Intermediate Similarity	0.8011	NPC229373
Intermediate Similarity	0.8011	NPC222661
Intermediate Similarity	0.8	NPC126284
Intermediate Similarity	0.8	NPC264850
Intermediate Similarity	0.8	NPC13916
Intermediate Similarity	0.7989	NPC237044
Intermediate Similarity	0.7988	NPC233650
Intermediate Similarity	0.7976	NPC4304
Intermediate Similarity	0.7975	NPC314682
Intermediate Similarity	0.7974	NPC160193
Intermediate Similarity	0.7966	NPC274716
Intermediate Similarity	0.7966	NPC254441
Intermediate Similarity	0.7966	NPC167116
Intermediate Similarity	0.7953	NPC252960
Intermediate Similarity	0.7952	NPC193949
Intermediate Similarity	0.7952	NPC278799
Intermediate Similarity	0.7952	NPC2413
Intermediate Similarity	0.7952	NPC276588
Intermediate Similarity	0.7952	NPC207757
Intermediate Similarity	0.7952	NPC204828
Intermediate Similarity	0.7952	NPC249797
Intermediate Similarity	0.7952	NPC127674
Intermediate Similarity	0.7952	NPC189266
Intermediate Similarity	0.7952	NPC172765
Intermediate Similarity	0.7952	NPC5238
Intermediate Similarity	0.7952	NPC39701
Intermediate Similarity	0.7952	NPC469817
Intermediate Similarity	0.7952	NPC54379
Intermediate Similarity	0.7952	NPC110416
Intermediate Similarity	0.7952	NPC295691
Intermediate Similarity	0.7952	NPC184026
Intermediate Similarity	0.7943	NPC148693
Intermediate Similarity	0.7943	NPC118633
Intermediate Similarity	0.7943	NPC474325
Intermediate Similarity	0.7943	NPC294790
Intermediate Similarity	0.7941	NPC134858
Intermediate Similarity	0.7941	NPC24465
Intermediate Similarity	0.7941	NPC247972
Intermediate Similarity	0.7939	NPC148898
Intermediate Similarity	0.7931	NPC304675
Intermediate Similarity	0.7925	NPC328750
Intermediate Similarity	0.7925	NPC188163
Intermediate Similarity	0.7925	NPC213206
Intermediate Similarity	0.7925	NPC474915
Intermediate Similarity	0.7921	NPC95426
Intermediate Similarity	0.7921	NPC16357
Intermediate Similarity	0.7921	NPC302245
Intermediate Similarity	0.7919	NPC317145
Intermediate Similarity	0.7919	NPC63646
Intermediate Similarity	0.7919	NPC10908
Intermediate Similarity	0.7919	NPC227060
Intermediate Similarity	0.7919	NPC198498
Intermediate Similarity	0.7919	NPC76682
Intermediate Similarity	0.7919	NPC317439
Intermediate Similarity	0.7919	NPC65403
Intermediate Similarity	0.7919	NPC276890
Intermediate Similarity	0.7919	NPC115284
Intermediate Similarity	0.7914	NPC59907
Intermediate Similarity	0.7914	NPC37144
Intermediate Similarity	0.791	NPC248642
Intermediate Similarity	0.7907	NPC470324
Intermediate Similarity	0.7901	NPC24260
Intermediate Similarity	0.7898	NPC474745
Intermediate Similarity	0.7895	NPC240841
Intermediate Similarity	0.7895	NPC256012
Intermediate Similarity	0.7895	NPC268503
Intermediate Similarity	0.7895	NPC42549
Intermediate Similarity	0.7895	NPC250846
Intermediate Similarity	0.7895	NPC317272
Intermediate Similarity	0.7892	NPC2295
Intermediate Similarity	0.7892	NPC477564
Intermediate Similarity	0.7886	NPC241704
Intermediate Similarity	0.7882	NPC218614
Intermediate Similarity	0.7877	NPC139783
Intermediate Similarity	0.7877	NPC116465
Intermediate Similarity	0.7877	NPC212237
Intermediate Similarity	0.7877	NPC65312
Intermediate Similarity	0.7874	NPC41376
Intermediate Similarity	0.7874	NPC251580
Intermediate Similarity	0.7874	NPC12424
Intermediate Similarity	0.7874	NPC129518
Intermediate Similarity	0.7866	NPC207824
Intermediate Similarity	0.7866	NPC60538
Intermediate Similarity	0.7865	NPC474746
Intermediate Similarity	0.7865	NPC475981
Intermediate Similarity	0.7865	NPC156576
Intermediate Similarity	0.7861	NPC329911
Intermediate Similarity	0.7857	NPC475326
Intermediate Similarity	0.7853	NPC16107
Intermediate Similarity	0.7853	NPC210437
Intermediate Similarity	0.7853	NPC476144
Intermediate Similarity	0.7853	NPC51957
Intermediate Similarity	0.7853	NPC106295
Intermediate Similarity	0.7849	NPC12053
Intermediate Similarity	0.7849	NPC81218
Intermediate Similarity	0.7849	NPC158376
Intermediate Similarity	0.7849	NPC117188
Intermediate Similarity	0.7849	NPC205421
Intermediate Similarity	0.7849	NPC210140
Intermediate Similarity	0.7849	NPC474931

Drug Structure

NPD6071 OpenBabel08211708292D 30 34 0 0 1 0 0 0 0 0999 V2000 1.4354 0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6059 -2.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8493 -1.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4344 -2.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0650 -2.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0438 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8522 -2.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4682 1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4537 0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3803 -0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9212 -1.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5063 -3.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8216 -3.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1369 -2.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6762 -1.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8374 1.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6309 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7787 -2.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6599 1.8576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8376 -1.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8225 0.4579 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7935 -1.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0148 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6309 -0.0257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7497 -2.6788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3803 -2.0846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6745 2.7988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6454 -0.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2397 3.5517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 6 18 1 0 0 0 0 7 20 1 0 0 0 0 8 9 2 0 0 0 0 8 19 1 0 0 0 0 10 15 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 12 25 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 15 26 1 0 0 0 0 16 19 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 22 2 0 0 0 0 19 27 1 6 0 0 0 20 23 2 0 0 0 0 20 28 1 0 0 0 0 21 24 1 1 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 29 1 0 0 0 0 24 9 1 1 0 0 0 27 30 1 0 0 0 0 M END $$$$

External Identifiers

TTD	DIB013017
DrugBank
ChEMBL
IUPHAR/BPS
PharmaGKB
KEGG Drug
PubChem CID
ChEBI
CAS Number

Drug Properties

Molecular Weight	398.26
ALogP	-1.7574
MLogP	3.55
XLogP	2.137
HDA	3
HBD	1
Rotatable Bonds	7
TPSA	45.17
RO5 Violation	0