NPASS drugs

Drug Information

Drug ID:	NPD5907
Drug Name:	Olmesartan
Molecular Formula:	C24H26N6O3
Canonical SMILES:	CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)C(O)(C)C
Standard InCHI:	InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29)
Standard InCHIKey:	VTRAEEWXHOVJFV-UHFFFAOYSA-N
Max Developmental Stage:	Phase 3
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD5907

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	324
0.1-0.2	2327
0.2-0.3	10643
0.3-0.4	13191
0.4-0.5	2306
0.5-0.6	1949
0.6-0.7	149
0.7-0.8	1
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	0.7018	NPC62995
Remote Similarity	0.6853	NPC74619
Remote Similarity	0.684	NPC267811
Remote Similarity	0.6807	NPC116622
Remote Similarity	0.6784	NPC116555
Remote Similarity	0.6757	NPC474916
Remote Similarity	0.6746	NPC63109
Remote Similarity	0.6667	NPC229893
Remote Similarity	0.6637	NPC57398
Remote Similarity	0.6636	NPC476341
Remote Similarity	0.6599	NPC171393
Remote Similarity	0.6599	NPC295452
Remote Similarity	0.6579	NPC472259
Remote Similarity	0.6573	NPC317054
Remote Similarity	0.6522	NPC243850
Remote Similarity	0.6498	NPC48317
Remote Similarity	0.6496	NPC282247
Remote Similarity	0.6475	NPC267078
Remote Similarity	0.6475	NPC935
Remote Similarity	0.6471	NPC272174
Remote Similarity	0.6461	NPC69843
Remote Similarity	0.645	NPC470786
Remote Similarity	0.645	NPC471155
Remote Similarity	0.6449	NPC474357
Remote Similarity	0.6447	NPC471944
Remote Similarity	0.6447	NPC54537
Remote Similarity	0.6444	NPC474896
Remote Similarity	0.6438	NPC285923
Remote Similarity	0.6434	NPC470323
Remote Similarity	0.6423	NPC263937
Remote Similarity	0.6423	NPC94428
Remote Similarity	0.6422	NPC270241
Remote Similarity	0.6422	NPC266249
Remote Similarity	0.6422	NPC71238
Remote Similarity	0.6417	NPC31097
Remote Similarity	0.6416	NPC141454
Remote Similarity	0.6415	NPC77101
Remote Similarity	0.6408	NPC328924
Remote Similarity	0.6407	NPC225400
Remote Similarity	0.6391	NPC295548
Remote Similarity	0.6391	NPC165599
Remote Similarity	0.6383	NPC471603
Remote Similarity	0.6379	NPC472538
Remote Similarity	0.6371	NPC147983
Remote Similarity	0.6371	NPC177996
Remote Similarity	0.6368	NPC123839
Remote Similarity	0.636	NPC250178
Remote Similarity	0.6343	NPC469938
Remote Similarity	0.634	NPC82370
Remote Similarity	0.634	NPC54981
Remote Similarity	0.6327	NPC280638
Remote Similarity	0.6303	NPC322064
Remote Similarity	0.63	NPC470787
Remote Similarity	0.63	NPC472540
Remote Similarity	0.63	NPC472539
Remote Similarity	0.629	NPC203635
Remote Similarity	0.6272	NPC472541
Remote Similarity	0.6272	NPC472542
Remote Similarity	0.6271	NPC242923
Remote Similarity	0.6261	NPC477979
Remote Similarity	0.625	NPC317701
Remote Similarity	0.6245	NPC323244
Remote Similarity	0.6244	NPC243058
Remote Similarity	0.6239	NPC244741
Remote Similarity	0.6225	NPC158055
Remote Similarity	0.6223	NPC132539
Remote Similarity	0.6222	NPC324091
Remote Similarity	0.6211	NPC326422
Remote Similarity	0.6208	NPC27041
Remote Similarity	0.6208	NPC312645
Remote Similarity	0.6204	NPC477633
Remote Similarity	0.6196	NPC477420
Remote Similarity	0.6196	NPC477418
Remote Similarity	0.6189	NPC130570
Remote Similarity	0.6179	NPC107160
Remote Similarity	0.6179	NPC187145
Remote Similarity	0.6176	NPC6865
Remote Similarity	0.6176	NPC471194
Remote Similarity	0.6176	NPC153980
Remote Similarity	0.6176	NPC471193
Remote Similarity	0.6172	NPC107836
Remote Similarity	0.6172	NPC469975
Remote Similarity	0.6169	NPC160666
Remote Similarity	0.6161	NPC90415
Remote Similarity	0.616	NPC182222
Remote Similarity	0.6157	NPC472116
Remote Similarity	0.6157	NPC102592
Remote Similarity	0.6157	NPC79356
Remote Similarity	0.6154	NPC473376
Remote Similarity	0.6154	NPC33949
Remote Similarity	0.6154	NPC156003
Remote Similarity	0.6151	NPC89508
Remote Similarity	0.6141	NPC472285
Remote Similarity	0.6141	NPC244425
Remote Similarity	0.6141	NPC15384
Remote Similarity	0.6141	NPC238945
Remote Similarity	0.6141	NPC471197
Remote Similarity	0.6134	NPC72956
Remote Similarity	0.6128	NPC471191
Remote Similarity	0.6126	NPC191415
Remote Similarity	0.6116	NPC248601
Remote Similarity	0.6116	NPC471198
Remote Similarity	0.6109	NPC110182
Remote Similarity	0.6106	NPC321708
Remote Similarity	0.6104	NPC212213
Remote Similarity	0.61	NPC471192
Remote Similarity	0.61	NPC36405
Remote Similarity	0.6098	NPC313884
Remote Similarity	0.6098	NPC98371
Remote Similarity	0.6084	NPC150447
Remote Similarity	0.6083	NPC31700
Remote Similarity	0.6081	NPC16659
Remote Similarity	0.608	NPC207686
Remote Similarity	0.6078	NPC81535
Remote Similarity	0.6074	NPC246658
Remote Similarity	0.6071	NPC207851
Remote Similarity	0.6066	NPC14686
Remote Similarity	0.6063	NPC219848
Remote Similarity	0.6062	NPC51854
Remote Similarity	0.605	NPC61038
Remote Similarity	0.6048	NPC476491
Remote Similarity	0.6047	NPC28945
Remote Similarity	0.6042	NPC118940
Remote Similarity	0.604	NPC21461
Remote Similarity	0.6037	NPC41717
Remote Similarity	0.6036	NPC265710
Remote Similarity	0.6036	NPC256268
Remote Similarity	0.6034	NPC102008
Remote Similarity	0.6032	NPC245756
Remote Similarity	0.6032	NPC471615
Remote Similarity	0.6027	NPC273532
Remote Similarity	0.6025	NPC269270
Remote Similarity	0.6023	NPC9729
Remote Similarity	0.6018	NPC141612
Remote Similarity	0.6018	NPC151635
Remote Similarity	0.6018	NPC135601
Remote Similarity	0.6018	NPC17273
Remote Similarity	0.6018	NPC94752
Remote Similarity	0.6017	NPC54744
Remote Similarity	0.6016	NPC39092
Remote Similarity	0.6016	NPC220851
Remote Similarity	0.6009	NPC91179
Remote Similarity	0.6009	NPC293917
Remote Similarity	0.6008	NPC285192
Remote Similarity	0.6	NPC470003
Remote Similarity	0.6	NPC322644
Remote Similarity	0.6	NPC21429
Remote Similarity	0.6	NPC472207
Remote Similarity	0.6	NPC471782
Remote Similarity	0.6	NPC471583
Remote Similarity	0.5992	NPC64216
Remote Similarity	0.5992	NPC220852
Remote Similarity	0.5991	NPC278434
Remote Similarity	0.5991	NPC284775
Remote Similarity	0.5991	NPC254762
Remote Similarity	0.5984	NPC285343
Remote Similarity	0.5984	NPC15801
Remote Similarity	0.5983	NPC476460
Remote Similarity	0.5982	NPC477891
Remote Similarity	0.5976	NPC260434
Remote Similarity	0.5976	NPC121069
Remote Similarity	0.5975	NPC473218
Remote Similarity	0.5975	NPC470702
Remote Similarity	0.5975	NPC75634
Remote Similarity	0.5973	NPC133003
Remote Similarity	0.5973	NPC241025
Remote Similarity	0.5966	NPC239954
Remote Similarity	0.5965	NPC221873
Remote Similarity	0.5965	NPC75544
Remote Similarity	0.5965	NPC472289
Remote Similarity	0.5961	NPC278540
Remote Similarity	0.596	NPC315822
Remote Similarity	0.5959	NPC308906
Remote Similarity	0.5956	NPC102755
Remote Similarity	0.5956	NPC159125
Remote Similarity	0.5955	NPC302647
Remote Similarity	0.5954	NPC471536
Remote Similarity	0.5952	NPC89987
Remote Similarity	0.5952	NPC114209
Remote Similarity	0.595	NPC470703
Remote Similarity	0.595	NPC207866
Remote Similarity	0.5949	NPC314648
Remote Similarity	0.5944	NPC2497
Remote Similarity	0.594	NPC106118
Remote Similarity	0.5939	NPC472031
Remote Similarity	0.5939	NPC472067
Remote Similarity	0.5939	NPC472066
Remote Similarity	0.5938	NPC24864
Remote Similarity	0.5938	NPC40530
Remote Similarity	0.5938	NPC314281
Remote Similarity	0.5935	NPC323969
Remote Similarity	0.5931	NPC198673
Remote Similarity	0.5928	NPC208060
Remote Similarity	0.5924	NPC175602
Remote Similarity	0.5923	NPC78767
Remote Similarity	0.5923	NPC473814
Remote Similarity	0.5921	NPC472323
Remote Similarity	0.5919	NPC240088
Remote Similarity	0.5919	NPC473380
Remote Similarity	0.5918	NPC473310

Drug Structure

NPD5907 OpenBabel08211708292D 36 39 0 0 0 0 0 0 0 0999 V2000 5.2165 -4.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1869 -2.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3779 -2.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2654 -4.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -4.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -4.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0575 -3.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -4.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -3.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9641 -2.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0981 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0981 -3.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2321 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8301 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9641 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2321 -2.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -3.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -2.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8007 -2.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6097 -1.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2788 -1.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8176 -0.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2734 -1.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7788 -2.7413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -0.9511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -0.9511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6962 -1.5388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0745 0.5152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7687 0.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6801 -0.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5878 0.8090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9766 1.1332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6746 -0.7526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 2 24 1 0 0 0 0 3 24 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 19 1 0 0 0 0 8 17 2 0 0 0 0 9 18 2 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 22 1 0 0 0 0 19 25 2 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 20 30 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 31 2 0 0 0 0 23 32 1 0 0 0 0 24 33 1 0 0 0 0 26 28 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 34 1 0 0 0 0 32 35 1 0 0 0 0 33 36 1 0 0 0 0 M END $$$$

External Identifiers

TTD	DAP001412
DrugBank	DB00275
ChEMBL	CHEMBL1516
IUPHAR/BPS
PharmaGKB	PA164742950
KEGG Drug	D01204
PubChem CID
ChEBI	48416
CAS Number	144689-24-7

Drug Properties

Molecular Weight	446.21
ALogP	-1.0263
MLogP	3.11
XLogP	6.703
HDA	9
HBD	3
Rotatable Bonds	13
TPSA	129.81
RO5 Violation	1