NPASS Natural Product

Natural Product: NPC470074

Natural Product ID:	NPC470074
Common Name:	Angustific Acid B
IUPAC Name:
Synonyms:	Angustific Acid B
Molecular Formula:	C30H44O7
Standard InCHIKey:	MHUCDSJUECUYSY-OTEBZQEVSA-N
Standard InCHI:	InChI=1S/C30H44O7/c1-17(2)19-14-20(31)24-28(6)22(32)15-21(27(5,37)10-7-8-18(3)25(35)36)26(28,4)12-13-30(24)16-29(19,30)11-9-23(33)34/h8,15,19-20,22,24,31-32,37H,1,7,9-14,16H2,2-6H3,(H,33,34)(H,35,36)/b18-8-/t19-,20-,22-,24-,26+,27-,28-,29+,30-/m0/s1
Canonical SMILES:	OC(=O)CC[C@@]12C[C@@]32CC[C@]2([C@@]([C@@H]3[C@H](C[C@H]1C(=C)C)O)(C)[C@@H](O)C=C2[C@](CC/C=C(C(=O)O)/C)(O)C)C
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
NPO18146	Kadsura angustifolia	Species	Schisandraceae	Eukaryota				PMID[21232955]

Biological Activity

Activity Type	# Activity
EC50	1
Others	1

Activity Type	# Activity
Organism	1
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT24	Organism	Human immunodeficiency virus 1	Human immunodeficiency virus 1	EC50	=	11.2	ug/ml	19769341
NPT2	Others	Unspecified		Ratio CC50/EC50	=	13.9		19769341

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 NPC470074 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	136
0.1-0.2	735
0.2-0.3	2689
0.3-0.4	5114
0.4-0.5	10252
0.5-0.6	4295
0.6-0.7	4608
0.7-0.8	2774
0.8-0.85	261
0.85-0.9	25
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8878	High Similarity	NPC118174
0.875	High Similarity	NPC476174
0.8737	High Similarity	NPC472871
0.8737	High Similarity	NPC476304
0.871	High Similarity	NPC472870
0.871	High Similarity	NPC104560
0.871	High Similarity	NPC117122
0.8696	High Similarity	NPC472869
0.8673	High Similarity	NPC218107
0.866	High Similarity	NPC250757
0.866	High Similarity	NPC301534
0.8646	High Similarity	NPC279410
0.8646	High Similarity	NPC476186
0.8646	High Similarity	NPC119562
0.8632	High Similarity	NPC74296
0.8632	High Similarity	NPC110923
0.86	High Similarity	NPC293753
0.8586	High Similarity	NPC471041
0.8586	High Similarity	NPC154072
0.8571	High Similarity	NPC320306
0.8571	High Similarity	NPC108078
0.8557	High Similarity	NPC271195
0.8515	High Similarity	NPC476237
0.85	High Similarity	NPC282524
0.85	High Similarity	NPC471412
0.8495	Intermediate Similarity	NPC186975
0.8478	Intermediate Similarity	NPC19849
0.8478	Intermediate Similarity	NPC472864
0.8469	Intermediate Similarity	NPC195366
0.8469	Intermediate Similarity	NPC234993
0.8469	Intermediate Similarity	NPC235053
0.8469	Intermediate Similarity	NPC29152
0.8469	Intermediate Similarity	NPC114743
0.8469	Intermediate Similarity	NPC134072
0.8454	Intermediate Similarity	NPC299100
0.8438	Intermediate Similarity	NPC470113
0.8438	Intermediate Similarity	NPC476187
0.8431	Intermediate Similarity	NPC201763
0.8431	Intermediate Similarity	NPC72255
0.8421	Intermediate Similarity	NPC262858
0.8421	Intermediate Similarity	NPC472240
0.8421	Intermediate Similarity	NPC66344
0.8421	Intermediate Similarity	NPC128496
0.8416	Intermediate Similarity	NPC234892
0.8416	Intermediate Similarity	NPC476081
0.8416	Intermediate Similarity	NPC162973
0.8404	Intermediate Similarity	NPC236618
0.84	Intermediate Similarity	NPC476274
0.84	Intermediate Similarity	NPC327431
0.84	Intermediate Similarity	NPC471413
0.8384	Intermediate Similarity	NPC99726
0.8384	Intermediate Similarity	NPC156546
0.8384	Intermediate Similarity	NPC253826
0.8367	Intermediate Similarity	NPC180950
0.8367	Intermediate Similarity	NPC266899
0.8367	Intermediate Similarity	NPC279974
0.8351	Intermediate Similarity	NPC477855
0.835	Intermediate Similarity	NPC323834
0.8333	Intermediate Similarity	NPC478057
0.8333	Intermediate Similarity	NPC112009
0.8333	Intermediate Similarity	NPC469400
0.8333	Intermediate Similarity	NPC472866
0.8333	Intermediate Similarity	NPC312900
0.8318	Intermediate Similarity	NPC472757
0.8317	Intermediate Similarity	NPC224720
0.8317	Intermediate Similarity	NPC476223
0.8317	Intermediate Similarity	NPC476240
0.8317	Intermediate Similarity	NPC472924
0.8302	Intermediate Similarity	NPC158523
0.8302	Intermediate Similarity	NPC475937
0.83	Intermediate Similarity	NPC114274
0.83	Intermediate Similarity	NPC57079
0.83	Intermediate Similarity	NPC103051
0.83	Intermediate Similarity	NPC194196
0.83	Intermediate Similarity	NPC108368
0.8298	Intermediate Similarity	NPC473226
0.8283	Intermediate Similarity	NPC7124
0.8283	Intermediate Similarity	NPC472941
0.8283	Intermediate Similarity	NPC456
0.828	Intermediate Similarity	NPC472865
0.828	Intermediate Similarity	NPC194937
0.828	Intermediate Similarity	NPC476038
0.8269	Intermediate Similarity	NPC187435
0.8269	Intermediate Similarity	NPC472925
0.8269	Intermediate Similarity	NPC67321
0.8265	Intermediate Similarity	NPC8993
0.8265	Intermediate Similarity	NPC469406
0.8265	Intermediate Similarity	NPC111015
0.8261	Intermediate Similarity	NPC2524
0.8247	Intermediate Similarity	NPC86266
0.8247	Intermediate Similarity	NPC110657
0.8247	Intermediate Similarity	NPC475806
0.8247	Intermediate Similarity	NPC473998
0.8247	Intermediate Similarity	NPC212301
0.8247	Intermediate Similarity	NPC233116
0.8241	Intermediate Similarity	NPC472400
0.8235	Intermediate Similarity	NPC22388
0.8235	Intermediate Similarity	NPC109195
0.8235	Intermediate Similarity	NPC136289
0.8235	Intermediate Similarity	NPC475038
0.8229	Intermediate Similarity	NPC146554
0.8229	Intermediate Similarity	NPC309603
0.8229	Intermediate Similarity	NPC474704
0.8229	Intermediate Similarity	NPC473999
0.8229	Intermediate Similarity	NPC472983
0.8229	Intermediate Similarity	NPC314727
0.8229	Intermediate Similarity	NPC475921
0.8229	Intermediate Similarity	NPC214387
0.8224	Intermediate Similarity	NPC470063
0.8218	Intermediate Similarity	NPC266955
0.8218	Intermediate Similarity	NPC476303
0.8218	Intermediate Similarity	NPC251680
0.8218	Intermediate Similarity	NPC201406
0.8211	Intermediate Similarity	NPC474684
0.8211	Intermediate Similarity	NPC142361
0.8208	Intermediate Similarity	NPC153036
0.82	Intermediate Similarity	NPC122294
0.8191	Intermediate Similarity	NPC283733
0.819	Intermediate Similarity	NPC472219
0.819	Intermediate Similarity	NPC472218
0.819	Intermediate Similarity	NPC472217
0.8182	Intermediate Similarity	NPC293052
0.8182	Intermediate Similarity	NPC84383
0.8182	Intermediate Similarity	NPC53565
0.8173	Intermediate Similarity	NPC49958
0.8173	Intermediate Similarity	NPC260268
0.8173	Intermediate Similarity	NPC214264
0.8173	Intermediate Similarity	NPC50692
0.8173	Intermediate Similarity	NPC296945
0.8173	Intermediate Similarity	NPC48733
0.8173	Intermediate Similarity	NPC34768
0.8173	Intermediate Similarity	NPC152695
0.8173	Intermediate Similarity	NPC171137
0.8173	Intermediate Similarity	NPC202167
0.8173	Intermediate Similarity	NPC476027
0.8173	Intermediate Similarity	NPC85829
0.8173	Intermediate Similarity	NPC150531
0.8173	Intermediate Similarity	NPC302607
0.8173	Intermediate Similarity	NPC319077
0.8173	Intermediate Similarity	NPC97202
0.8172	Intermediate Similarity	NPC243347
0.8165	Intermediate Similarity	NPC471127
0.8165	Intermediate Similarity	NPC234858
0.8165	Intermediate Similarity	NPC154363
0.8163	Intermediate Similarity	NPC139692
0.8163	Intermediate Similarity	NPC107674
0.8163	Intermediate Similarity	NPC141497
0.8163	Intermediate Similarity	NPC470375
0.8163	Intermediate Similarity	NPC38232
0.8163	Intermediate Similarity	NPC470376
0.8163	Intermediate Similarity	NPC214697
0.8163	Intermediate Similarity	NPC170220
0.8155	Intermediate Similarity	NPC120321
0.8155	Intermediate Similarity	NPC176883
0.8155	Intermediate Similarity	NPC475050
0.8155	Intermediate Similarity	NPC180204
0.8155	Intermediate Similarity	NPC247957
0.8155	Intermediate Similarity	NPC95899
0.8155	Intermediate Similarity	NPC72151
0.8155	Intermediate Similarity	NPC249187
0.8148	Intermediate Similarity	NPC250109
0.8148	Intermediate Similarity	NPC962
0.8148	Intermediate Similarity	NPC71889
0.8144	Intermediate Similarity	NPC232202
0.8144	Intermediate Similarity	NPC477149
0.8144	Intermediate Similarity	NPC48010
0.8144	Intermediate Similarity	NPC85173
0.8144	Intermediate Similarity	NPC477147
0.8144	Intermediate Similarity	NPC126993
0.8137	Intermediate Similarity	NPC163372
0.8137	Intermediate Similarity	NPC81530
0.8137	Intermediate Similarity	NPC115899
0.8137	Intermediate Similarity	NPC302537
0.8131	Intermediate Similarity	NPC475668
0.8131	Intermediate Similarity	NPC475480
0.8131	Intermediate Similarity	NPC473921
0.8125	Intermediate Similarity	NPC48107
0.8125	Intermediate Similarity	NPC193360
0.8119	Intermediate Similarity	NPC478056
0.8119	Intermediate Similarity	NPC119036
0.8119	Intermediate Similarity	NPC471717
0.8119	Intermediate Similarity	NPC316598
0.8119	Intermediate Similarity	NPC98868
0.8119	Intermediate Similarity	NPC16021
0.8119	Intermediate Similarity	NPC186810
0.8119	Intermediate Similarity	NPC48647
0.8113	Intermediate Similarity	NPC257082
0.8113	Intermediate Similarity	NPC475941
0.8113	Intermediate Similarity	NPC474901
0.8105	Intermediate Similarity	NPC472985
0.8105	Intermediate Similarity	NPC475007
0.8105	Intermediate Similarity	NPC475069
0.8105	Intermediate Similarity	NPC472986
0.8105	Intermediate Similarity	NPC175145
0.8105	Intermediate Similarity	NPC73038
0.81	Intermediate Similarity	NPC471039
0.81	Intermediate Similarity	NPC249954
0.81	Intermediate Similarity	NPC29952
0.81	Intermediate Similarity	NPC190713
0.81	Intermediate Similarity	NPC276103

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC470074 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	141
0.1-0.2	1264
0.2-0.3	3444
0.3-0.4	2730
0.4-0.5	1008
0.5-0.6	223
0.6-0.7	193
0.7-0.8	155
0.8-0.85	3
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8218	Intermediate Similarity	NPD7640	Approved
0.8218	Intermediate Similarity	NPD7639	Approved
0.8119	Intermediate Similarity	NPD7638	Approved
0.7885	Intermediate Similarity	NPD5211	Phase 2
0.7879	Intermediate Similarity	NPD6079	Approved
0.7879	Intermediate Similarity	NPD7515	Phase 2
0.7857	Intermediate Similarity	NPD5328	Approved
0.785	Intermediate Similarity	NPD6881	Approved
0.785	Intermediate Similarity	NPD6899	Approved
0.783	Intermediate Similarity	NPD5739	Approved
0.783	Intermediate Similarity	NPD6675	Approved
0.783	Intermediate Similarity	NPD7128	Approved
0.783	Intermediate Similarity	NPD6402	Approved
0.78	Intermediate Similarity	NPD4202	Approved
0.7768	Intermediate Similarity	NPD7115	Discovery
0.7757	Intermediate Similarity	NPD5697	Approved
0.7736	Intermediate Similarity	NPD5141	Approved
0.7732	Intermediate Similarity	NPD3618	Phase 1
0.7706	Intermediate Similarity	NPD7102	Approved
0.7706	Intermediate Similarity	NPD7290	Approved
0.7706	Intermediate Similarity	NPD6883	Approved
0.7692	Intermediate Similarity	NPD5285	Approved
0.7692	Intermediate Similarity	NPD5286	Approved
0.7692	Intermediate Similarity	NPD4696	Approved
0.7685	Intermediate Similarity	NPD7320	Approved
0.7685	Intermediate Similarity	NPD6011	Approved
0.767	Intermediate Similarity	NPD4755	Approved
0.7658	Intermediate Similarity	NPD4632	Approved
0.7636	Intermediate Similarity	NPD6649	Approved
0.7636	Intermediate Similarity	NPD6617	Approved
0.7636	Intermediate Similarity	NPD6650	Approved
0.7636	Intermediate Similarity	NPD6869	Approved
0.7636	Intermediate Similarity	NPD8130	Phase 1
0.7636	Intermediate Similarity	NPD6847	Approved
0.7629	Intermediate Similarity	NPD7520	Clinical (unspecified phase)
0.7624	Intermediate Similarity	NPD6399	Phase 3
0.7619	Intermediate Similarity	NPD5223	Approved
0.7615	Intermediate Similarity	NPD6372	Approved
0.7615	Intermediate Similarity	NPD6012	Approved
0.7615	Intermediate Similarity	NPD6013	Approved
0.7615	Intermediate Similarity	NPD6014	Approved
0.7615	Intermediate Similarity	NPD6373	Approved
0.7593	Intermediate Similarity	NPD5701	Approved
0.7573	Intermediate Similarity	NPD5221	Approved
0.7573	Intermediate Similarity	NPD5222	Approved
0.7573	Intermediate Similarity	NPD5220	Clinical (unspecified phase)
0.7568	Intermediate Similarity	NPD8297	Approved
0.7568	Intermediate Similarity	NPD6882	Approved
0.7549	Intermediate Similarity	NPD7748	Approved
0.7547	Intermediate Similarity	NPD4633	Approved
0.7547	Intermediate Similarity	NPD5226	Approved
0.7547	Intermediate Similarity	NPD5224	Approved
0.7547	Intermediate Similarity	NPD7632	Discontinued
0.7547	Intermediate Similarity	NPD5225	Approved
0.7526	Intermediate Similarity	NPD4786	Approved
0.7524	Intermediate Similarity	NPD4700	Approved
0.7521	Intermediate Similarity	NPD7604	Phase 2
0.75	Intermediate Similarity	NPD6083	Phase 2
0.75	Intermediate Similarity	NPD7902	Approved
0.75	Intermediate Similarity	NPD6008	Approved
0.75	Intermediate Similarity	NPD5173	Approved
0.75	Intermediate Similarity	NPD6084	Phase 2
0.7477	Intermediate Similarity	NPD5174	Approved
0.7477	Intermediate Similarity	NPD5175	Approved
0.7477	Intermediate Similarity	NPD6401	Clinical (unspecified phase)
0.7476	Intermediate Similarity	NPD6356	Clinical (unspecified phase)
0.7474	Intermediate Similarity	NPD7525	Registered
0.7456	Intermediate Similarity	NPD6009	Approved
0.7455	Intermediate Similarity	NPD4061	Clinical (unspecified phase)
0.7429	Intermediate Similarity	NPD4225	Approved
0.7404	Intermediate Similarity	NPD4697	Phase 3
0.7387	Intermediate Similarity	NPD4634	Approved
0.7364	Intermediate Similarity	NPD6686	Approved
0.7353	Intermediate Similarity	NPD8035	Phase 2
0.7353	Intermediate Similarity	NPD8034	Phase 2
0.7347	Intermediate Similarity	NPD3133	Approved
0.7347	Intermediate Similarity	NPD3665	Phase 1
0.7347	Intermediate Similarity	NPD3666	Approved
0.7327	Intermediate Similarity	NPD4753	Phase 2
0.732	Intermediate Similarity	NPD4752	Clinical (unspecified phase)
0.732	Intermediate Similarity	NPD3667	Approved
0.7315	Intermediate Similarity	NPD4754	Approved
0.7265	Intermediate Similarity	NPD6319	Approved
0.7263	Intermediate Similarity	NPD6697	Approved
0.7263	Intermediate Similarity	NPD6118	Approved
0.7263	Intermediate Similarity	NPD5784	Clinical (unspecified phase)
0.7263	Intermediate Similarity	NPD6115	Approved
0.7263	Intermediate Similarity	NPD6114	Approved
0.725	Intermediate Similarity	NPD7507	Approved
0.7241	Intermediate Similarity	NPD6335	Approved
0.7232	Intermediate Similarity	NPD5955	Clinical (unspecified phase)
0.7232	Intermediate Similarity	NPD6371	Approved
0.7228	Intermediate Similarity	NPD6672	Approved
0.7228	Intermediate Similarity	NPD5737	Approved
0.7217	Intermediate Similarity	NPD6274	Approved
0.7212	Intermediate Similarity	NPD7900	Approved
0.7212	Intermediate Similarity	NPD7901	Clinical (unspecified phase)
0.7207	Intermediate Similarity	NPD4730	Approved
0.7207	Intermediate Similarity	NPD4729	Approved
0.7207	Intermediate Similarity	NPD5128	Approved
0.7203	Intermediate Similarity	NPD5983	Phase 2
0.72	Intermediate Similarity	NPD6684	Approved
0.72	Intermediate Similarity	NPD4623	Approved
0.72	Intermediate Similarity	NPD3574	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD7334	Approved
0.72	Intermediate Similarity	NPD7146	Approved
0.72	Intermediate Similarity	NPD7521	Approved
0.72	Intermediate Similarity	NPD6409	Approved
0.72	Intermediate Similarity	NPD4519	Discontinued
0.72	Intermediate Similarity	NPD5330	Approved
0.7184	Intermediate Similarity	NPD5284	Approved
0.7184	Intermediate Similarity	NPD5281	Approved
0.7184	Intermediate Similarity	NPD7637	Suspended
0.7182	Intermediate Similarity	NPD4767	Approved
0.7182	Intermediate Similarity	NPD4768	Approved
0.7179	Intermediate Similarity	NPD7101	Approved
0.7179	Intermediate Similarity	NPD7100	Approved
0.7167	Intermediate Similarity	NPD7492	Approved
0.7158	Intermediate Similarity	NPD6116	Phase 1
0.7155	Intermediate Similarity	NPD6317	Approved
0.7143	Intermediate Similarity	NPD5695	Phase 3
0.7143	Intermediate Similarity	NPD5210	Approved
0.7143	Intermediate Similarity	NPD4629	Approved
0.7143	Intermediate Similarity	NPD4223	Phase 3
0.7143	Intermediate Similarity	NPD4221	Approved
0.7119	Intermediate Similarity	NPD6054	Approved
0.7107	Intermediate Similarity	NPD6616	Approved
0.7107	Intermediate Similarity	NPD6336	Discontinued
0.7103	Intermediate Similarity	NPD5696	Approved
0.71	Intermediate Similarity	NPD5329	Approved
0.71	Intermediate Similarity	NPD1696	Phase 3
0.7094	Intermediate Similarity	NPD6314	Approved
0.7094	Intermediate Similarity	NPD6313	Approved
0.708	Intermediate Similarity	NPD5248	Approved
0.708	Intermediate Similarity	NPD5250	Approved
0.708	Intermediate Similarity	NPD5134	Clinical (unspecified phase)
0.708	Intermediate Similarity	NPD5251	Approved
0.708	Intermediate Similarity	NPD5247	Approved
0.708	Intermediate Similarity	NPD5169	Approved
0.708	Intermediate Similarity	NPD5135	Approved
0.708	Intermediate Similarity	NPD5249	Phase 3
0.7073	Intermediate Similarity	NPD7319	Approved
0.7071	Intermediate Similarity	NPD4788	Approved
0.7071	Intermediate Similarity	NPD5362	Discontinued
0.7069	Intermediate Similarity	NPD6868	Approved
0.7059	Intermediate Similarity	NPD7513	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD6903	Approved
0.7053	Intermediate Similarity	NPD6117	Approved
0.7049	Intermediate Similarity	NPD7078	Approved
0.7048	Intermediate Similarity	NPD6001	Approved
0.703	Intermediate Similarity	NPD5279	Phase 3
0.7018	Intermediate Similarity	NPD5217	Approved
0.7018	Intermediate Similarity	NPD5216	Approved
0.7018	Intermediate Similarity	NPD5215	Approved
0.7018	Intermediate Similarity	NPD5127	Approved
0.7	Intermediate Similarity	NPD6370	Approved
0.7	Intermediate Similarity	NPD4197	Approved
0.7	Intermediate Similarity	NPD7338	Clinical (unspecified phase)
0.6992	Remote Similarity	NPD7736	Approved
0.699	Remote Similarity	NPD6673	Approved
0.699	Remote Similarity	NPD6904	Approved
0.699	Remote Similarity	NPD6080	Approved
0.6975	Remote Similarity	NPD6059	Approved
0.6972	Remote Similarity	NPD5344	Discontinued
0.6964	Remote Similarity	NPD5954	Clinical (unspecified phase)
0.6964	Remote Similarity	NPD6412	Phase 2
0.6961	Remote Similarity	NPD4751	Clinical (unspecified phase)
0.6961	Remote Similarity	NPD3573	Approved
0.6957	Remote Similarity	NPD6053	Discontinued
0.6952	Remote Similarity	NPD5779	Approved
0.6952	Remote Similarity	NPD5778	Approved
0.6949	Remote Similarity	NPD7328	Approved
0.6949	Remote Similarity	NPD7327	Approved
0.6939	Remote Similarity	NPD6930	Phase 2
0.6939	Remote Similarity	NPD7332	Phase 2
0.6939	Remote Similarity	NPD6931	Approved
0.6931	Remote Similarity	NPD1694	Approved
0.6931	Remote Similarity	NPD5363	Approved
0.6923	Remote Similarity	NPD5785	Approved
0.6917	Remote Similarity	NPD6016	Approved
0.6917	Remote Similarity	NPD6909	Approved
0.6917	Remote Similarity	NPD6015	Approved
0.6917	Remote Similarity	NPD6908	Approved
0.6917	Remote Similarity	NPD6291	Clinical (unspecified phase)
0.6911	Remote Similarity	NPD8293	Discontinued
0.6903	Remote Similarity	NPD5168	Approved
0.69	Remote Similarity	NPD6695	Phase 3
0.6891	Remote Similarity	NPD7516	Approved
0.6881	Remote Similarity	NPD6404	Discontinued
0.6869	Remote Similarity	NPD6902	Approved
0.6863	Remote Similarity	NPD4690	Approved
0.6863	Remote Similarity	NPD4693	Phase 3
0.6863	Remote Similarity	NPD4689	Approved
0.6863	Remote Similarity	NPD5690	Phase 2
0.6863	Remote Similarity	NPD4138	Approved
0.6863	Remote Similarity	NPD5205	Approved
0.6863	Remote Similarity	NPD4688	Approved
0.686	Remote Similarity	NPD5988	Approved
0.6857	Remote Similarity	NPD5693	Phase 1
0.6842	Remote Similarity	NPD6113	Clinical (unspecified phase)

Structure

NPC470074 OpenBabel07101718182D 37 40 0 0 1 0 0 0 0 0999 V2000 -1.7321 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8973 -5.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3253 -1.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7353 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3253 0.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 -3.9543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6102 -4.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 -3.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2709 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9192 -5.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6831 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 0.3090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2500 -5.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9921 -2.2601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7321 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9921 1.2601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5591 -6.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2719 -5.6485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9432 -1.9511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 17 1 0 0 0 0 3 18 1 0 0 0 0 4 26 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 18 2 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 10 27 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 2 0 0 0 0 15 22 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 19 1 0 0 0 0 18 25 1 0 0 0 0 19 29 1 6 0 0 0 20 24 1 0 0 0 0 20 31 1 6 0 0 0 21 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 1 0 0 0 22 32 1 0 0 0 0 23 33 2 0 0 0 0 23 34 1 0 0 0 0 24 28 1 1 0 0 0 24 30 1 0 0 0 0 25 35 2 0 0 0 0 25 36 1 0 0 0 0 26 28 1 6 0 0 0 27 5 1 6 0 0 0 27 37 1 0 0 0 0 28 6 1 1 0 0 0 29 30 1 1 0 0 0 30 13 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	51003481
ChEMBL	CHEMBL1669429
ZINC

Physicochemical Properties

Molecular Weight:	516.31
ALogP:	1.5216
MLogP:	3.99
XLogP:	3.411
# Rotatable Bonds:	19
Polar Surface Area:	135.29
# H-Bond Aceptor:	7
# H-Bond Donor:	5
# Rings:	4
# Heavy Atoms:	37

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