NPASS Natural Product

Natural Product: NPC301501

Natural Product ID:	NPC301501
Common Name:	Globospiramine
IUPAC Name:
Synonyms:	Globospiramine
Molecular Formula:	C43H48N4O7
Standard InCHIKey:	YPRWDJLQPBDJAW-HHVNBPBNSA-N
Standard InCHI:	InChI=1S/C43H48N4O7/c1-51-28-9-5-7-26-31(28)47-22-41(19-23-18-40-21-30(48)54-29(40)10-14-45-15-11-43(26,33(23)47)35(40)45)37-39(13-17-53-37)20-24(34(49)52-2)32-42(12-16-46(36(39)42)38(41)50)25-6-3-4-8-27(25)44-32/h3-9,23,29,33,35-38,44,50H,10-22H2,1-2H3/t23-,29-,33-,35-,36-,37+,38+,39-,40-,41-,42-,43-/m0/s1
Canonical SMILES:	COC(=O)C1=C2Nc3c([C@@]42[C@@H]2[C@@]5(C1)CCO[C@H]5[C@]1([C@H](N2CC4)O)C[C@@H]2C[C@]45CC(=O)O[C@H]4CCN4[C@@H]5[C@@]5([C@H]2N(C1)c1c(OC)cccc51)CC4)cccc3
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO32722	voacanga globosa	Species	Apocynaceae	Eukaryota				PMID[21546135]

Biological Activity

Activity Type	# Activity
IC50	3
MIC	2

Activity Type	# Activity
Individual Protein	3
Organism	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT67	Individual Protein	Cholinesterase	Equus caballus	IC50	=	16400	nM	1336040
NPT67	Individual Protein	Cholinesterase	Equus caballus	IC50	=	16255.49	nM	20017493
NPT66	Individual Protein	Acetylcholinesterase	Electrophorus electricus	IC50	=	94000	nM	18973387
NPT790	Organism	Mycobacterium tuberculosis H37Rv	Mycobacterium tuberculosis H37Rv	MIC	=	4	ug/ml	19805556
NPT790	Organism	Mycobacterium tuberculosis H37Rv	Mycobacterium tuberculosis H37Rv	MIC	=	5.2	ug/ml	10579870

Similar Natural Products in NPASS

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

● The left chart: Distribution of similarity level between NPC301501 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	291
0.1-0.2	1316
0.2-0.3	3823
0.3-0.4	8790
0.4-0.5	9989
0.5-0.6	5845
0.6-0.7	741
0.7-0.8	82
0.8-0.85	2
0.85-0.9	3
0.9-0.95	1
0.95-1	6

Similarity Score	Similarity Level	Natural Product ID
0.9762	High Similarity	NPC139373
0.9676	High Similarity	NPC329932
0.9674	High Similarity	NPC469452
0.9667	High Similarity	NPC223242
0.9583	High Similarity	NPC469451
0.9581	High Similarity	NPC469450
0.9488	High Similarity	NPC131977
0.8634	High Similarity	NPC469722
0.8578	High Similarity	NPC195787
0.8578	High Similarity	NPC246140
0.8178	Intermediate Similarity	NPC1464
0.8018	Intermediate Similarity	NPC87714
0.7982	Intermediate Similarity	NPC234772
0.794	Intermediate Similarity	NPC154922
0.7885	Intermediate Similarity	NPC128476
0.7867	Intermediate Similarity	NPC195636
0.786	Intermediate Similarity	NPC19175
0.7857	Intermediate Similarity	NPC189661
0.7832	Intermediate Similarity	NPC77777
0.7797	Intermediate Similarity	NPC151171
0.7773	Intermediate Similarity	NPC113455
0.7763	Intermediate Similarity	NPC476069
0.775	Intermediate Similarity	NPC120239
0.7745	Intermediate Similarity	NPC160113
0.7745	Intermediate Similarity	NPC476220
0.7716	Intermediate Similarity	NPC471513
0.7705	Intermediate Similarity	NPC329982
0.7661	Intermediate Similarity	NPC138615
0.7661	Intermediate Similarity	NPC265642
0.7661	Intermediate Similarity	NPC218733
0.7661	Intermediate Similarity	NPC132874
0.7639	Intermediate Similarity	NPC473458
0.7629	Intermediate Similarity	NPC231924
0.7628	Intermediate Similarity	NPC25401
0.7615	Intermediate Similarity	NPC476258
0.7615	Intermediate Similarity	NPC304837
0.757	Intermediate Similarity	NPC14994
0.7563	Intermediate Similarity	NPC291173
0.7547	Intermediate Similarity	NPC159963
0.7545	Intermediate Similarity	NPC478075
0.7521	Intermediate Similarity	NPC476436
0.75	Intermediate Similarity	NPC5630
0.75	Intermediate Similarity	NPC477397
0.7489	Intermediate Similarity	NPC288110
0.7488	Intermediate Similarity	NPC99043
0.7488	Intermediate Similarity	NPC218594
0.7465	Intermediate Similarity	NPC22476
0.7445	Intermediate Similarity	NPC269449
0.7437	Intermediate Similarity	NPC476429
0.743	Intermediate Similarity	NPC97584
0.7418	Intermediate Similarity	NPC477393
0.7414	Intermediate Similarity	NPC222046
0.7393	Intermediate Similarity	NPC264482
0.7393	Intermediate Similarity	NPC203202
0.738	Intermediate Similarity	NPC119722
0.738	Intermediate Similarity	NPC127996
0.7378	Intermediate Similarity	NPC475147
0.7358	Intermediate Similarity	NPC477396
0.7358	Intermediate Similarity	NPC186669
0.7354	Intermediate Similarity	NPC138830
0.7336	Intermediate Similarity	NPC477395
0.7331	Intermediate Similarity	NPC115588
0.7327	Intermediate Similarity	NPC21425
0.7325	Intermediate Similarity	NPC475133
0.7321	Intermediate Similarity	NPC232600
0.7306	Intermediate Similarity	NPC203628
0.7297	Intermediate Similarity	NPC90967
0.7244	Intermediate Similarity	NPC469732
0.7243	Intermediate Similarity	NPC6974
0.7234	Intermediate Similarity	NPC10653
0.7234	Intermediate Similarity	NPC318525
0.7225	Intermediate Similarity	NPC329833
0.7179	Intermediate Similarity	NPC126556
0.7175	Intermediate Similarity	NPC303214
0.7149	Intermediate Similarity	NPC475720
0.7149	Intermediate Similarity	NPC474192
0.7137	Intermediate Similarity	NPC474077
0.7124	Intermediate Similarity	NPC67904
0.7113	Intermediate Similarity	NPC477394
0.7113	Intermediate Similarity	NPC122886
0.7111	Intermediate Similarity	NPC100863
0.7104	Intermediate Similarity	NPC474059
0.71	Intermediate Similarity	NPC477160
0.7099	Intermediate Similarity	NPC471303
0.7091	Intermediate Similarity	NPC181928
0.7085	Intermediate Similarity	NPC470485
0.7074	Intermediate Similarity	NPC470484
0.7067	Intermediate Similarity	NPC162440
0.7047	Intermediate Similarity	NPC478080
0.7045	Intermediate Similarity	NPC237901
0.7045	Intermediate Similarity	NPC475816
0.7045	Intermediate Similarity	NPC195788
0.704	Intermediate Similarity	NPC469734
0.7009	Intermediate Similarity	NPC159815
0.6996	Remote Similarity	NPC470483
0.6987	Remote Similarity	NPC473005
0.698	Remote Similarity	NPC473105
0.6979	Remote Similarity	NPC473006
0.6978	Remote Similarity	NPC34717
0.6953	Remote Similarity	NPC478083
0.694	Remote Similarity	NPC260909
0.6919	Remote Similarity	NPC248117
0.6905	Remote Similarity	NPC61013
0.6904	Remote Similarity	NPC219397
0.6877	Remote Similarity	NPC17437
0.6875	Remote Similarity	NPC22689
0.6875	Remote Similarity	NPC473298
0.6875	Remote Similarity	NPC105055
0.6875	Remote Similarity	NPC472099
0.6872	Remote Similarity	NPC193410
0.6847	Remote Similarity	NPC476095
0.6847	Remote Similarity	NPC52262
0.6844	Remote Similarity	NPC248903
0.6838	Remote Similarity	NPC329567
0.6838	Remote Similarity	NPC330683
0.6837	Remote Similarity	NPC224970
0.6837	Remote Similarity	NPC223595
0.6837	Remote Similarity	NPC167724
0.6833	Remote Similarity	NPC475609
0.6828	Remote Similarity	NPC230313
0.6828	Remote Similarity	NPC243626
0.6824	Remote Similarity	NPC477161
0.682	Remote Similarity	NPC473880
0.6808	Remote Similarity	NPC191489
0.6803	Remote Similarity	NPC26928
0.6802	Remote Similarity	NPC473486
0.6802	Remote Similarity	NPC475316
0.6798	Remote Similarity	NPC81939
0.6797	Remote Similarity	NPC471512
0.6792	Remote Similarity	NPC36495
0.6786	Remote Similarity	NPC477067
0.6786	Remote Similarity	NPC285841
0.6786	Remote Similarity	NPC478082
0.6784	Remote Similarity	NPC203972
0.678	Remote Similarity	NPC25961
0.6772	Remote Similarity	NPC475666
0.6769	Remote Similarity	NPC284685
0.6768	Remote Similarity	NPC88923
0.6768	Remote Similarity	NPC100734
0.6768	Remote Similarity	NPC315634
0.6767	Remote Similarity	NPC52801
0.6766	Remote Similarity	NPC471945
0.6766	Remote Similarity	NPC471950
0.6762	Remote Similarity	NPC21638
0.6761	Remote Similarity	NPC35390
0.6761	Remote Similarity	NPC470631
0.6761	Remote Similarity	NPC473781
0.6756	Remote Similarity	NPC217294
0.6753	Remote Similarity	NPC475489
0.6752	Remote Similarity	NPC476500
0.6749	Remote Similarity	NPC148124
0.6749	Remote Similarity	NPC251071
0.6746	Remote Similarity	NPC477066
0.6745	Remote Similarity	NPC123241
0.6743	Remote Similarity	NPC276993
0.6743	Remote Similarity	NPC293255
0.6743	Remote Similarity	NPC210415
0.6743	Remote Similarity	NPC298851
0.6743	Remote Similarity	NPC181138
0.6743	Remote Similarity	NPC21752
0.6738	Remote Similarity	NPC207971
0.6737	Remote Similarity	NPC471951
0.6737	Remote Similarity	NPC471946
0.6729	Remote Similarity	NPC293458
0.6723	Remote Similarity	NPC472098
0.6719	Remote Similarity	NPC478081
0.6719	Remote Similarity	NPC473540
0.6713	Remote Similarity	NPC472115
0.6713	Remote Similarity	NPC472114
0.6711	Remote Similarity	NPC94499
0.6709	Remote Similarity	NPC268077
0.6709	Remote Similarity	NPC474366
0.6708	Remote Similarity	NPC99724
0.6696	Remote Similarity	NPC473007
0.6696	Remote Similarity	NPC161804
0.6695	Remote Similarity	NPC30749
0.6695	Remote Similarity	NPC475259
0.6694	Remote Similarity	NPC223590
0.6682	Remote Similarity	NPC33507
0.6681	Remote Similarity	NPC127178
0.6681	Remote Similarity	NPC230098
0.668	Remote Similarity	NPC311906
0.668	Remote Similarity	NPC473837
0.6667	Remote Similarity	NPC262725
0.6667	Remote Similarity	NPC477179
0.6667	Remote Similarity	NPC473004
0.6667	Remote Similarity	NPC472106
0.6653	Remote Similarity	NPC470482
0.6653	Remote Similarity	NPC96321
0.6653	Remote Similarity	NPC212123
0.6653	Remote Similarity	NPC470481
0.6652	Remote Similarity	NPC473008
0.6651	Remote Similarity	NPC282339
0.6651	Remote Similarity	NPC99632
0.6639	Remote Similarity	NPC46259
0.6638	Remote Similarity	NPC477180
0.6638	Remote Similarity	NPC477178
0.6638	Remote Similarity	NPC254850
0.6638	Remote Similarity	NPC477181
0.6636	Remote Similarity	NPC469726

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC301501 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	188
0.1-0.2	632
0.2-0.3	849
0.3-0.4	1856
0.4-0.5	2941
0.5-0.6	2282
0.6-0.7	405
0.7-0.8	8
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7143	Intermediate Similarity	NPD8364	Approved
0.7143	Intermediate Similarity	NPD8363	Approved
0.7088	Intermediate Similarity	NPD8365	Clinical (unspecified phase)
0.7045	Intermediate Similarity	NPD8467	Approved
0.7045	Intermediate Similarity	NPD8466	Approved
0.7045	Intermediate Similarity	NPD8465	Approved
0.7017	Intermediate Similarity	NPD7858	Clinical (unspecified phase)
0.7017	Intermediate Similarity	NPD3783	Clinical (unspecified phase)
0.6996	Remote Similarity	NPD6199	Discontinued
0.6983	Remote Similarity	NPD4082	Approved
0.6966	Remote Similarity	NPD4493	Discontinued
0.6962	Remote Similarity	NPD3940	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD7597	Clinical (unspecified phase)
0.694	Remote Similarity	NPD8459	Approved
0.694	Remote Similarity	NPD8426	Approved
0.694	Remote Similarity	NPD8425	Approved
0.694	Remote Similarity	NPD8460	Approved
0.6936	Remote Similarity	NPD4492	Approved
0.6936	Remote Similarity	NPD4494	Approved
0.6923	Remote Similarity	NPD5860	Discontinued
0.6917	Remote Similarity	NPD8429	Approved
0.6917	Remote Similarity	NPD8428	Approved
0.6917	Remote Similarity	NPD8427	Approved
0.6911	Remote Similarity	NPD6625	Approved
0.6877	Remote Similarity	NPD8358	Approved
0.6867	Remote Similarity	NPD4596	Phase 1
0.6853	Remote Similarity	NPD6644	Discontinued
0.6838	Remote Similarity	NPD2907	Approved
0.6838	Remote Similarity	NPD2906	Approved
0.681	Remote Similarity	NPD7064	Clinical (unspecified phase)
0.6808	Remote Similarity	NPD7708	Approved
0.6805	Remote Similarity	NPD5433	Clinical (unspecified phase)
0.6787	Remote Similarity	NPD7149	Clinical (unspecified phase)
0.6783	Remote Similarity	NPD6874	Approved
0.678	Remote Similarity	NPD3893	Discontinued
0.6774	Remote Similarity	NPD6723	Discontinued
0.6769	Remote Similarity	NPD7955	Approved
0.6769	Remote Similarity	NPD7956	Approved
0.6768	Remote Similarity	NPD7803	Approved
0.6766	Remote Similarity	NPD4022	Approved
0.6766	Remote Similarity	NPD3472	Approved
0.6765	Remote Similarity	NPD4455	Discontinued
0.6736	Remote Similarity	NPD3437	Discontinued
0.6726	Remote Similarity	NPD5928	Phase 1
0.6723	Remote Similarity	NPD3888	Discontinued
0.672	Remote Similarity	NPD3006	Discontinued
0.6709	Remote Similarity	NPD4456	Clinical (unspecified phase)
0.6709	Remote Similarity	NPD3372	Discontinued
0.6696	Remote Similarity	NPD7238	Clinical (unspecified phase)
0.6681	Remote Similarity	NPD6608	Clinical (unspecified phase)
0.6681	Remote Similarity	NPD1945	Phase 1
0.6667	Remote Similarity	NPD7186	Phase 3
0.6667	Remote Similarity	NPD8489	Phase 1
0.6667	Remote Similarity	NPD6211	Clinical (unspecified phase)
0.6653	Remote Similarity	NPD7820	Phase 3
0.6653	Remote Similarity	NPD3912	Discontinued
0.6652	Remote Similarity	NPD6238	Discontinued
0.6626	Remote Similarity	NPD7821	Clinical (unspecified phase)
0.6609	Remote Similarity	NPD7256	Discontinued
0.6606	Remote Similarity	NPD2680	Approved
0.6606	Remote Similarity	NPD2681	Approved
0.6603	Remote Similarity	NPD8461	Discontinued
0.6595	Remote Similarity	NPD5071	Phase 2
0.6592	Remote Similarity	NPD6654	Clinical (unspecified phase)
0.6592	Remote Similarity	NPD6293	Clinical (unspecified phase)
0.6585	Remote Similarity	NPD7542	Phase 3
0.6583	Remote Similarity	NPD7827	Phase 1
0.6583	Remote Similarity	NPD7178	Clinical (unspecified phase)
0.6581	Remote Similarity	NPD7476	Discontinued
0.658	Remote Similarity	NPD5582	Discontinued
0.6579	Remote Similarity	NPD7235	Clinical (unspecified phase)
0.6577	Remote Similarity	NPD5334	Clinical (unspecified phase)
0.6575	Remote Similarity	NPD5183	Approved
0.6575	Remote Similarity	NPD5186	Approved
0.6568	Remote Similarity	NPD5102	Clinical (unspecified phase)
0.6561	Remote Similarity	NPD4846	Phase 2
0.6555	Remote Similarity	NPD4859	Phase 1
0.6553	Remote Similarity	NPD6795	Clinical (unspecified phase)
0.6545	Remote Similarity	NPD6160	Clinical (unspecified phase)
0.6523	Remote Similarity	NPD6716	Phase 1
0.6518	Remote Similarity	NPD7278	Phase 2
0.6518	Remote Similarity	NPD7279	Phase 2
0.6512	Remote Similarity	NPD1769	Discontinued
0.6511	Remote Similarity	NPD7566	Clinical (unspecified phase)
0.651	Remote Similarity	NPD7560	Approved
0.6508	Remote Similarity	NPD6741	Clinical (unspecified phase)
0.6502	Remote Similarity	NPD7475	Clinical (unspecified phase)
0.6502	Remote Similarity	NPD8149	Discontinued
0.6498	Remote Similarity	NPD7891	Discontinued
0.6489	Remote Similarity	NPD8463	Approved
0.6481	Remote Similarity	NPD2975	Approved
0.6481	Remote Similarity	NPD2974	Approved
0.6481	Remote Similarity	NPD2973	Approved
0.6481	Remote Similarity	NPD6621	Clinical (unspecified phase)
0.6478	Remote Similarity	NPD6997	Phase 2
0.6476	Remote Similarity	NPD6021	Clinical (unspecified phase)
0.6473	Remote Similarity	NPD7479	Phase 2
0.6471	Remote Similarity	NPD7174	Clinical (unspecified phase)
0.6468	Remote Similarity	NPD7925	Phase 2
0.6468	Remote Similarity	NPD7924	Phase 2
0.6468	Remote Similarity	NPD4580	Approved
0.6455	Remote Similarity	NPD2249	Approved
0.6455	Remote Similarity	NPD2247	Approved
0.6455	Remote Similarity	NPD7126	Discontinued
0.6453	Remote Similarity	NPD4420	Approved
0.6449	Remote Similarity	NPD7293	Approved
0.6437	Remote Similarity	NPD7805	Phase 3
0.6429	Remote Similarity	NPD5600	Discontinued
0.6429	Remote Similarity	NPD4465	Phase 2
0.6429	Remote Similarity	NPD4467	Phase 2
0.6426	Remote Similarity	NPD7811	Phase 3
0.6426	Remote Similarity	NPD7810	Phase 3
0.6419	Remote Similarity	NPD8103	Clinical (unspecified phase)
0.6417	Remote Similarity	NPD6593	Clinical (unspecified phase)
0.6414	Remote Similarity	NPD5005	Approved
0.6414	Remote Similarity	NPD5006	Approved
0.6413	Remote Similarity	NPD5938	Phase 3
0.6411	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.6405	Remote Similarity	NPD7272	Discontinued
0.6405	Remote Similarity	NPD5676	Approved
0.6402	Remote Similarity	NPD6905	Phase 2
0.6384	Remote Similarity	NPD5603	Clinical (unspecified phase)
0.638	Remote Similarity	NPD3984	Clinical (unspecified phase)
0.638	Remote Similarity	NPD6457	Approved
0.638	Remote Similarity	NPD3983	Phase 3
0.6378	Remote Similarity	NPD7922	Phase 1
0.6375	Remote Similarity	NPD3899	Clinical (unspecified phase)
0.6371	Remote Similarity	NPD2494	Approved
0.6371	Remote Similarity	NPD6321	Discontinued
0.6371	Remote Similarity	NPD2493	Approved
0.6371	Remote Similarity	NPD3452	Approved
0.6371	Remote Similarity	NPD3450	Approved
0.6368	Remote Similarity	NPD7667	Clinical (unspecified phase)
0.6368	Remote Similarity	NPD7880	Clinical (unspecified phase)
0.6367	Remote Similarity	NPD8157	Clinical (unspecified phase)
0.636	Remote Similarity	NPD4583	Approved
0.636	Remote Similarity	NPD4582	Approved
0.6357	Remote Similarity	NPD7432	Phase 2
0.6356	Remote Similarity	NPD5496	Approved
0.6356	Remote Similarity	NPD2899	Discontinued
0.6356	Remote Similarity	NPD3050	Clinical (unspecified phase)
0.6352	Remote Similarity	NPD7262	Phase 1
0.6339	Remote Similarity	NPD7796	Approved
0.6339	Remote Similarity	NPD7797	Approved
0.6332	Remote Similarity	NPD6853	Approved
0.6332	Remote Similarity	NPD6851	Approved
0.633	Remote Similarity	NPD6060	Clinical (unspecified phase)
0.6329	Remote Similarity	NPD6519	Phase 2
0.6327	Remote Similarity	NPD5900	Clinical (unspecified phase)
0.6324	Remote Similarity	NPD4981	Phase 2
0.6318	Remote Similarity	NPD4004	Approved
0.6318	Remote Similarity	NPD4002	Approved
0.6318	Remote Similarity	NPD7497	Discontinued
0.6314	Remote Similarity	NPD4668	Phase 2
0.6307	Remote Similarity	NPD2434	Approved
0.6307	Remote Similarity	NPD7690	Clinical (unspecified phase)
0.6306	Remote Similarity	NPD6107	Approved
0.6305	Remote Similarity	NPD7556	Discontinued
0.6298	Remote Similarity	NPD3964	Approved
0.6293	Remote Similarity	NPD5896	Clinical (unspecified phase)
0.6292	Remote Similarity	NPD1294	Discontinued
0.629	Remote Similarity	NPD4796	Discontinued
0.6288	Remote Similarity	NPD6503	Clinical (unspecified phase)
0.6283	Remote Similarity	NPD5521	Clinical (unspecified phase)
0.6282	Remote Similarity	NPD5610	Approved
0.6281	Remote Similarity	NPD2514	Approved
0.6278	Remote Similarity	NPD8492	Approved
0.6277	Remote Similarity	NPD4515	Suspended
0.6277	Remote Similarity	NPD6793	Clinical (unspecified phase)
0.626	Remote Similarity	NPD8359	Phase 2
0.6256	Remote Similarity	NPD5294	Clinical (unspecified phase)
0.6255	Remote Similarity	NPD8017	Clinical (unspecified phase)
0.6255	Remote Similarity	NPD8016	Phase 3
0.6255	Remote Similarity	NPD7669	Phase 3
0.6255	Remote Similarity	NPD6871	Clinical (unspecified phase)
0.625	Remote Similarity	NPD8101	Phase 3
0.625	Remote Similarity	NPD8025	Phase 2
0.625	Remote Similarity	NPD5620	Clinical (unspecified phase)
0.6245	Remote Similarity	NPD5194	Approved
0.6245	Remote Similarity	NPD5197	Approved
0.6245	Remote Similarity	NPD8658	Clinical (unspecified phase)
0.6245	Remote Similarity	NPD8281	Discontinued
0.6245	Remote Similarity	NPD5196	Approved
0.624	Remote Similarity	NPD7048	Phase 3
0.6234	Remote Similarity	NPD6340	Approved
0.6234	Remote Similarity	NPD3416	Discontinued
0.6234	Remote Similarity	NPD6339	Approved
0.6233	Remote Similarity	NPD6379	Discontinued
0.6231	Remote Similarity	NPD8091	Phase 3
0.6231	Remote Similarity	NPD7417	Discontinued
0.6229	Remote Similarity	NPD8249	Clinical (unspecified phase)
0.6224	Remote Similarity	NPD4040	Phase 1
0.6221	Remote Similarity	NPD5483	Clinical (unspecified phase)
0.6218	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.6217	Remote Similarity	NPD2971	Approved
0.6217	Remote Similarity	NPD5895	Clinical (unspecified phase)
0.6217	Remote Similarity	NPD2968	Approved
0.6214	Remote Similarity	NPD8027	Approved
0.6211	Remote Similarity	NPD5313	Approved
0.6211	Remote Similarity	NPD4885	Approved

Structure

NPC301501 OpenBabel07101718222D 54 66 0 0 1 0 0 0 0 0999 V2000 -3.8283 -2.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3586 -4.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9856 -0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3922 -1.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2615 -0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1725 -0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9197 0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9856 -1.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7935 -1.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6373 3.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6060 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5461 -0.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0367 -2.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4636 3.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0799 1.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9463 0.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0296 -2.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0824 1.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6937 0.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5692 -2.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6901 2.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2530 -0.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1674 1.0367 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2003 -2.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7659 -1.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1098 0.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1725 -1.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9836 -1.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7364 3.4133 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1645 3.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6418 -0.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8855 -2.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8526 0.5990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3197 -3.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4879 1.8528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0150 -0.9999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7169 -1.0258 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8734 0.4870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8435 -1.5128 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6616 2.4161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7319 -0.0259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9705 -1.2946 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6221 0.8618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6284 -2.4341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3888 2.2866 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.8648 -0.2140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1673 3.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4804 -4.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8884 1.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 -2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2392 -3.9269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4499 -1.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8111 3.7925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 51 1 0 0 0 0 2 52 1 0 0 0 0 3 4 2 0 0 0 0 3 6 1 0 0 0 0 4 8 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 25 2 0 0 0 0 7 26 1 0 0 0 0 8 27 2 0 0 0 0 9 28 2 0 0 0 0 10 14 1 0 0 0 0 10 29 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 45 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 17 53 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 20 39 1 0 0 0 0 21 30 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 47 1 0 0 0 0 23 18 1 1 0 0 0 23 33 1 0 0 0 0 24 32 2 0 0 0 0 24 34 1 0 0 0 0 25 27 1 0 0 0 0 25 42 1 0 0 0 0 26 31 2 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 28 31 1 0 0 0 0 28 51 1 0 0 0 0 29 40 1 6 0 0 0 29 54 1 0 0 0 0 30 48 2 0 0 0 0 30 54 1 0 0 0 0 31 47 1 0 0 0 0 32 42 1 0 0 0 0 32 44 1 0 0 0 0 33 43 1 6 0 0 0 33 47 1 0 0 0 0 34 49 2 0 0 0 0 34 52 1 0 0 0 0 35 40 1 1 0 0 0 35 43 1 0 0 0 0 35 45 1 0 0 0 0 36 39 1 6 0 0 0 36 42 1 0 0 0 0 36 46 1 0 0 0 0 37 39 1 1 0 0 0 37 41 1 0 0 0 0 37 53 1 0 0 0 0 38 41 1 1 0 0 0 38 46 1 0 0 0 0 38 50 1 0 0 0 0 39 13 1 1 0 0 0 40 18 1 1 0 0 0 41 19 1 1 0 0 0 42 12 1 6 0 0 0 43 11 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	53329268
ChEMBL	CHEMBL1797183
ZINC

Physicochemical Properties

Molecular Weight:	732.35
ALogP:	-1.9062
MLogP:	4.98
XLogP:	3.977
# Rotatable Bonds:	6
Polar Surface Area:	113.04
# H-Bond Aceptor:	10
# H-Bond Donor:	2
# Rings:	13
# Heavy Atoms:	54

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