NPASS drugs

Drug Information

Drug ID:	NPD7397
Drug Name:	Azilsartan Kamedoxomil
Molecular Formula:	C30H24N4O8.K
Canonical SMILES:	CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)n1)c(ccc2)C(=O)OCc1oc(=O)oc1C.[K+]
Standard InCHI:	InChI=1S/C30H24N4O8.K/c1-3-38-28-31-23-10-6-9-22(27(35)39-16-24-17(2)40-30(37)41-24)25(23)34(28)15-18-11-13-19(14-12-18)20-7-4-5-8-21(20)26-32-29(36)42-33-26;/h4-14H,3,15-16H2,1-2H3,(H,32,33,36);/q;+1/p-1
Standard InCHIKey:	IHWFKDWIUSZLCJ-UHFFFAOYSA-M
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD7397

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	372
0.1-0.2	2033
0.2-0.3	9375
0.3-0.4	11415
0.4-0.5	5122
0.5-0.6	1986
0.6-0.7	574
0.7-0.8	13
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

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	0.7588	NPC243850
Intermediate Similarity	0.7184	NPC116622
Intermediate Similarity	0.7131	NPC244856
Intermediate Similarity	0.7126	NPC107836
Intermediate Similarity	0.7101	NPC236424
Intermediate Similarity	0.7101	NPC306644
Intermediate Similarity	0.7071	NPC274842
Intermediate Similarity	0.7021	NPC313345
Intermediate Similarity	0.7021	NPC314855
Intermediate Similarity	0.7021	NPC313796
Intermediate Similarity	0.7021	NPC315638
Intermediate Similarity	0.7	NPC263937
Intermediate Similarity	0.7	NPC94428
Remote Similarity	0.6992	NPC315545
Remote Similarity	0.6992	NPC314297
Remote Similarity	0.6978	NPC476341
Remote Similarity	0.6978	NPC282103
Remote Similarity	0.6947	NPC90415
Remote Similarity	0.6904	NPC314834
Remote Similarity	0.6895	NPC187145
Remote Similarity	0.6889	NPC243058
Remote Similarity	0.6867	NPC474916
Remote Similarity	0.686	NPC477979
Remote Similarity	0.6858	NPC203635
Remote Similarity	0.6835	NPC314648
Remote Similarity	0.6768	NPC303374
Remote Similarity	0.6763	NPC472842
Remote Similarity	0.6763	NPC123839
Remote Similarity	0.676	NPC157931
Remote Similarity	0.6758	NPC472207
Remote Similarity	0.6756	NPC256268
Remote Similarity	0.6753	NPC138370
Remote Similarity	0.6749	NPC31700
Remote Similarity	0.6747	NPC313884
Remote Similarity	0.6747	NPC98371
Remote Similarity	0.6735	NPC244425
Remote Similarity	0.6735	NPC15384
Remote Similarity	0.6733	NPC471762
Remote Similarity	0.6729	NPC472846
Remote Similarity	0.6711	NPC219848
Remote Similarity	0.6694	NPC62995
Remote Similarity	0.6693	NPC257851
Remote Similarity	0.6691	NPC279589
Remote Similarity	0.668	NPC266249
Remote Similarity	0.668	NPC282247
Remote Similarity	0.6679	NPC1203
Remote Similarity	0.6667	NPC471197
Remote Similarity	0.6667	NPC45048
Remote Similarity	0.6667	NPC66777
Remote Similarity	0.6667	NPC267811
Remote Similarity	0.6654	NPC63109
Remote Similarity	0.6653	NPC323969
Remote Similarity	0.664	NPC471198
Remote Similarity	0.6629	NPC74619
Remote Similarity	0.6599	NPC312645
Remote Similarity	0.6588	NPC132329
Remote Similarity	0.6569	NPC471944
Remote Similarity	0.6562	NPC329631
Remote Similarity	0.6556	NPC132539
Remote Similarity	0.6555	NPC81535
Remote Similarity	0.6543	NPC116555
Remote Similarity	0.6531	NPC242923
Remote Similarity	0.6525	NPC101350
Remote Similarity	0.652	NPC472099
Remote Similarity	0.6513	NPC124300
Remote Similarity	0.6512	NPC57453
Remote Similarity	0.6506	NPC478006
Remote Similarity	0.6504	NPC472098
Remote Similarity	0.6504	NPC118940
Remote Similarity	0.6502	NPC310618
Remote Similarity	0.6498	NPC79356
Remote Similarity	0.6498	NPC245916
Remote Similarity	0.6498	NPC102592
Remote Similarity	0.6493	NPC478083
Remote Similarity	0.6489	NPC291609
Remote Similarity	0.6486	NPC28945
Remote Similarity	0.6486	NPC235685
Remote Similarity	0.6486	NPC285343
Remote Similarity	0.648	NPC308906
Remote Similarity	0.6478	NPC89508
Remote Similarity	0.6475	NPC285192
Remote Similarity	0.6473	NPC179896
Remote Similarity	0.646	NPC478010
Remote Similarity	0.646	NPC478009
Remote Similarity	0.6456	NPC280638
Remote Similarity	0.6447	NPC84347
Remote Similarity	0.6444	NPC67288
Remote Similarity	0.6437	NPC471583
Remote Similarity	0.6437	NPC471782
Remote Similarity	0.6435	NPC88110
Remote Similarity	0.6426	NPC152768
Remote Similarity	0.6426	NPC148183
Remote Similarity	0.6423	NPC227824
Remote Similarity	0.6418	NPC314882
Remote Similarity	0.6417	NPC245756
Remote Similarity	0.6414	NPC198673
Remote Similarity	0.6407	NPC472843
Remote Similarity	0.6402	NPC311451
Remote Similarity	0.6402	NPC160898
Remote Similarity	0.6398	NPC278540
Remote Similarity	0.6395	NPC89987
Remote Similarity	0.6393	NPC82053
Remote Similarity	0.6393	NPC472845
Remote Similarity	0.6393	NPC238457
Remote Similarity	0.6392	NPC473506
Remote Similarity	0.6383	NPC196251
Remote Similarity	0.6383	NPC63199
Remote Similarity	0.6383	NPC111602
Remote Similarity	0.6383	NPC102338
Remote Similarity	0.6381	NPC472844
Remote Similarity	0.6378	NPC229893
Remote Similarity	0.6376	NPC471743
Remote Similarity	0.6375	NPC467439
Remote Similarity	0.6375	NPC168911
Remote Similarity	0.6371	NPC220852
Remote Similarity	0.6371	NPC141053
Remote Similarity	0.6371	NPC272458
Remote Similarity	0.6368	NPC160381
Remote Similarity	0.6368	NPC141612
Remote Similarity	0.6368	NPC17273
Remote Similarity	0.6368	NPC135601
Remote Similarity	0.6367	NPC87152
Remote Similarity	0.6367	NPC475631
Remote Similarity	0.6367	NPC74575
Remote Similarity	0.6367	NPC474905
Remote Similarity	0.6367	NPC476110
Remote Similarity	0.6367	NPC475600
Remote Similarity	0.6364	NPC280799
Remote Similarity	0.6364	NPC315467
Remote Similarity	0.636	NPC472116
Remote Similarity	0.636	NPC36405
Remote Similarity	0.636	NPC322064
Remote Similarity	0.6357	NPC473441
Remote Similarity	0.6357	NPC475303
Remote Similarity	0.6357	NPC131273
Remote Similarity	0.6357	NPC260434
Remote Similarity	0.6357	NPC475596
Remote Similarity	0.6352	NPC472119
Remote Similarity	0.6352	NPC21429
Remote Similarity	0.6349	NPC52254
Remote Similarity	0.6346	NPC327769
Remote Similarity	0.6346	NPC253675
Remote Similarity	0.6345	NPC192306
Remote Similarity	0.6345	NPC221100
Remote Similarity	0.6345	NPC234078
Remote Similarity	0.6344	NPC77101
Remote Similarity	0.6342	NPC475644
Remote Similarity	0.6342	NPC470486
Remote Similarity	0.6342	NPC471190
Remote Similarity	0.6342	NPC156003
Remote Similarity	0.6342	NPC471977
Remote Similarity	0.6341	NPC470280
Remote Similarity	0.634	NPC278434
Remote Similarity	0.6339	NPC220851
Remote Similarity	0.6339	NPC477788
Remote Similarity	0.6333	NPC472435
Remote Similarity	0.6332	NPC49547
Remote Similarity	0.6332	NPC935
Remote Similarity	0.6332	NPC473186
Remote Similarity	0.6332	NPC30456
Remote Similarity	0.6332	NPC267078
Remote Similarity	0.633	NPC270515
Remote Similarity	0.6329	NPC472097
Remote Similarity	0.6327	NPC277350
Remote Similarity	0.6326	NPC295452
Remote Similarity	0.6326	NPC171393
Remote Similarity	0.6324	NPC272174
Remote Similarity	0.6324	NPC472436
Remote Similarity	0.6318	NPC195314
Remote Similarity	0.6316	NPC477633
Remote Similarity	0.6314	NPC122436
Remote Similarity	0.6314	NPC76565
Remote Similarity	0.6314	NPC473666
Remote Similarity	0.631	NPC248601
Remote Similarity	0.631	NPC82070
Remote Similarity	0.6308	NPC474357
Remote Similarity	0.6307	NPC239954
Remote Similarity	0.6307	NPC102008
Remote Similarity	0.6305	NPC153980
Remote Similarity	0.6305	NPC6865
Remote Similarity	0.6303	NPC55493
Remote Similarity	0.6301	NPC244741
Remote Similarity	0.6299	NPC474896
Remote Similarity	0.6298	NPC470022
Remote Similarity	0.6298	NPC311858
Remote Similarity	0.6296	NPC54537
Remote Similarity	0.6295	NPC471192
Remote Similarity	0.6293	NPC160666
Remote Similarity	0.6292	NPC472068
Remote Similarity	0.6289	NPC475137
Remote Similarity	0.6289	NPC475498
Remote Similarity	0.6288	NPC148889
Remote Similarity	0.6287	NPC324091
Remote Similarity	0.6284	NPC158055
Remote Similarity	0.6284	NPC39370
Remote Similarity	0.6284	NPC170751
Remote Similarity	0.6284	NPC182222
Remote Similarity	0.6283	NPC473800
Remote Similarity	0.6276	NPC473178
Remote Similarity	0.6275	NPC31097

Drug Structure

NPD7397 OpenBabel08211712022D 44 48 0 0 0 0 0 0 0 0999 V2000 2.8495 -2.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7933 -10.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8005 -2.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4320 -3.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4320 -2.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -5.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5660 -4.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5660 -2.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1691 -6.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -5.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9679 -5.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1019 -4.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8339 -5.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9679 -3.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2359 -5.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1765 -8.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8978 -9.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1019 -5.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8339 -4.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -3.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -2.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1473 -6.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7872 -4.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1547 -8.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4563 -5.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8339 -2.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8164 -7.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2653 -4.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2513 -1.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5559 -7.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2872 -3.9612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9204 -2.5704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7294 -1.1691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3698 -5.1637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7946 -7.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2567 -1.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2251 -7.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0085 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5074 -8.2156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7638 -8.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5614 -7.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7513 -0.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4645 3.9220 0.0000 K 0 3 0 0 0 15 0 0 0 0 0 0 7.4726 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 17 1 0 0 0 0 3 38 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 20 2 0 0 0 0 8 21 2 0 0 0 0 9 22 1 0 0 0 0 10 23 2 0 0 0 0 11 13 1 0 0 0 0 11 18 2 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 13 19 2 0 0 0 0 14 19 1 0 0 0 0 15 18 1 0 0 0 0 15 34 1 0 0 0 0 16 24 1 0 0 0 0 16 39 1 0 0 0 0 17 24 2 0 0 0 0 17 40 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 26 1 0 0 0 0 22 25 2 0 0 0 0 22 27 1 0 0 0 0 23 25 1 0 0 0 0 23 31 1 0 0 0 0 24 41 1 0 0 0 0 25 34 1 0 0 0 0 26 32 2 0 0 0 0 26 33 1 0 0 0 0 27 35 2 0 0 0 0 27 39 1 0 0 0 0 28 31 2 0 0 0 0 28 34 1 0 0 0 0 28 38 1 0 0 0 0 29 32 1 0 0 0 0 29 36 2 0 0 0 0 29 42 1 0 0 0 0 30 37 2 0 0 0 0 30 40 1 0 0 0 0 30 41 1 0 0 0 0 33 42 1 0 0 0 0 33 44 1 0 0 0 0 M CHG 1 43 1 M END $$$$

External Identifiers

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

Drug Properties

Molecular Weight	568.16
ALogP	-0.0782
MLogP	3.44
XLogP	7.486
HDA	9
HBD	1
Rotatable Bonds	12
TPSA	139.57
RO5 Violation	1