NPASS Natural Product

Natural Product: NPC198339

Natural Product ID:	NPC198339
Common Name:	Asporyzin C
IUPAC Name:
Synonyms:	Asporyzin C
Molecular Formula:	C28H39NO2
Standard InCHIKey:	UCZDOMMSHDUFIK-TWQPBVKTSA-N
Standard InCHI:	InChI=1S/C28H39NO2/c1-25(2,31)14-8-15-26(3)22-12-11-18-17-20-19-9-6-7-10-21(19)29-24(20)28(18,5)27(22,4)16-13-23(26)30/h6-10,14,18,22-23,29-31H,11-13,15-17H2,1-5H3/b14-8+/t18-,22-,23-,26-,27-,28+/m0/s1
Canonical SMILES:	O[C@H]1CC[C@]2([C@H]([C@]1(C)C/C=C/C(O)(C)C)CC[C@@H]1[C@]2(C)c2[nH]c3c(c2C1)cccc3)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
NPO1072	Aspergillus oryzae	Species	Aspergillaceae	Eukaryota				PMID[20797856]

Biological Activity

Activity Type	# Activity
Others	3

Activity Type	# Activity
Individual Protein	1
Organism	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	8.3	mm	22934671
NPT176	Organism	Artemia salina	Artemia salina	Activity	=	32.8	%	10757713
NPT204	Individual Protein	Acetylcholinesterase	Homo sapiens	Inhibition	=	7.3	%	DrugMatrix in vitro pharmacology data

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 NPC198339 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	242
0.1-0.2	1263
0.2-0.3	3714
0.3-0.4	15520
0.4-0.5	7186
0.5-0.6	1657
0.6-0.7	1011
0.7-0.8	255
0.8-0.85	24
0.85-0.9	10
0.9-0.95	6
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9688	High Similarity	NPC97525
0.9455	High Similarity	NPC302191
0.9408	High Similarity	NPC206967
0.9341	High Similarity	NPC165201
0.929	High Similarity	NPC119700
0.9235	High Similarity	NPC34271
0.9217	High Similarity	NPC6093
0.8927	High Similarity	NPC473747
0.892	High Similarity	NPC231342
0.8795	High Similarity	NPC154293
0.8786	High Similarity	NPC99428
0.8722	High Similarity	NPC475151
0.8713	High Similarity	NPC300688
0.8626	High Similarity	NPC123019
0.8603	High Similarity	NPC205403
0.8556	High Similarity	NPC250129
0.8503	High Similarity	NPC475165
0.8421	Intermediate Similarity	NPC471284
0.8413	Intermediate Similarity	NPC235900
0.8409	Intermediate Similarity	NPC476319
0.8387	Intermediate Similarity	NPC18661
0.8382	Intermediate Similarity	NPC151939
0.8314	Intermediate Similarity	NPC34508
0.8289	Intermediate Similarity	NPC187456
0.8246	Intermediate Similarity	NPC201700
0.8238	Intermediate Similarity	NPC96131
0.8229	Intermediate Similarity	NPC97388
0.8229	Intermediate Similarity	NPC270009
0.8177	Intermediate Similarity	NPC473547
0.8142	Intermediate Similarity	NPC181502
0.8142	Intermediate Similarity	NPC85066
0.809	Intermediate Similarity	NPC19679
0.8085	Intermediate Similarity	NPC477135
0.8046	Intermediate Similarity	NPC126492
0.8041	Intermediate Similarity	NPC160527
0.8041	Intermediate Similarity	NPC473650
0.8036	Intermediate Similarity	NPC470507
0.8034	Intermediate Similarity	NPC192270
0.8023	Intermediate Similarity	NPC472443
0.802	Intermediate Similarity	NPC61813
0.801	Intermediate Similarity	NPC61637
0.7989	Intermediate Similarity	NPC472444
0.7988	Intermediate Similarity	NPC242556
0.7969	Intermediate Similarity	NPC284102
0.7967	Intermediate Similarity	NPC46413
0.7966	Intermediate Similarity	NPC293472
0.7929	Intermediate Similarity	NPC471458
0.7904	Intermediate Similarity	NPC124005
0.7904	Intermediate Similarity	NPC37548
0.7882	Intermediate Similarity	NPC184476
0.7882	Intermediate Similarity	NPC285469
0.7872	Intermediate Similarity	NPC476175
0.7861	Intermediate Similarity	NPC40779
0.7853	Intermediate Similarity	NPC472586
0.7853	Intermediate Similarity	NPC329688
0.7853	Intermediate Similarity	NPC189812
0.7849	Intermediate Similarity	NPC473320
0.7824	Intermediate Similarity	NPC38736
0.7822	Intermediate Similarity	NPC475424
0.7822	Intermediate Similarity	NPC79107
0.7818	Intermediate Similarity	NPC311330
0.7816	Intermediate Similarity	NPC470508
0.7809	Intermediate Similarity	NPC288785
0.7803	Intermediate Similarity	NPC16667
0.7798	Intermediate Similarity	NPC187951
0.7789	Intermediate Similarity	NPC475476
0.7789	Intermediate Similarity	NPC242446
0.7784	Intermediate Similarity	NPC129042
0.7784	Intermediate Similarity	NPC280548
0.7778	Intermediate Similarity	NPC32200
0.7759	Intermediate Similarity	NPC311276
0.7744	Intermediate Similarity	NPC475422
0.7738	Intermediate Similarity	NPC477134
0.7733	Intermediate Similarity	NPC469762
0.7719	Intermediate Similarity	NPC207726
0.7696	Intermediate Similarity	NPC300183
0.7688	Intermediate Similarity	NPC67056
0.7674	Intermediate Similarity	NPC469785
0.767	Intermediate Similarity	NPC282033
0.7657	Intermediate Similarity	NPC472587
0.7641	Intermediate Similarity	NPC87755
0.7638	Intermediate Similarity	NPC203614
0.7638	Intermediate Similarity	NPC204491
0.7634	Intermediate Similarity	NPC95783
0.7634	Intermediate Similarity	NPC106833
0.7634	Intermediate Similarity	NPC469497
0.7632	Intermediate Similarity	NPC477041
0.7632	Intermediate Similarity	NPC477044
0.7624	Intermediate Similarity	NPC213468
0.7624	Intermediate Similarity	NPC176199
0.7624	Intermediate Similarity	NPC215795
0.7617	Intermediate Similarity	NPC98715
0.7598	Intermediate Similarity	NPC472123
0.7596	Intermediate Similarity	NPC139291
0.7596	Intermediate Similarity	NPC472108
0.7592	Intermediate Similarity	NPC477045
0.7581	Intermediate Similarity	NPC128751
0.7574	Intermediate Similarity	NPC470874
0.7566	Intermediate Similarity	NPC133366
0.7558	Intermediate Similarity	NPC469763
0.7558	Intermediate Similarity	NPC73952
0.7558	Intermediate Similarity	NPC469765
0.7558	Intermediate Similarity	NPC469760
0.7558	Intermediate Similarity	NPC469786
0.7558	Intermediate Similarity	NPC25008
0.7558	Intermediate Similarity	NPC259644
0.7554	Intermediate Similarity	NPC190007
0.7552	Intermediate Similarity	NPC49196
0.7552	Intermediate Similarity	NPC313985
0.7552	Intermediate Similarity	NPC195461
0.7552	Intermediate Similarity	NPC81654
0.7552	Intermediate Similarity	NPC79129
0.7552	Intermediate Similarity	NPC249150
0.7551	Intermediate Similarity	NPC258062
0.7551	Intermediate Similarity	NPC127677
0.7542	Intermediate Similarity	NPC6982
0.7539	Intermediate Similarity	NPC50503
0.7531	Intermediate Similarity	NPC475450
0.7529	Intermediate Similarity	NPC299594
0.7528	Intermediate Similarity	NPC317430
0.7525	Intermediate Similarity	NPC204303
0.7514	Intermediate Similarity	NPC94943
0.7514	Intermediate Similarity	NPC211572
0.7514	Intermediate Similarity	NPC75540
0.7514	Intermediate Similarity	NPC70922
0.7514	Intermediate Similarity	NPC80597
0.7514	Intermediate Similarity	NPC212376
0.7513	Intermediate Similarity	NPC474177
0.75	Intermediate Similarity	NPC225821
0.75	Intermediate Similarity	NPC313791
0.75	Intermediate Similarity	NPC46225
0.7487	Intermediate Similarity	NPC246700
0.7487	Intermediate Similarity	NPC232130
0.7487	Intermediate Similarity	NPC477043
0.7485	Intermediate Similarity	NPC473930
0.7472	Intermediate Similarity	NPC160105
0.7472	Intermediate Similarity	NPC49954
0.7472	Intermediate Similarity	NPC474561
0.7471	Intermediate Similarity	NPC141353
0.7469	Intermediate Similarity	NPC475428
0.7463	Intermediate Similarity	NPC147446
0.7459	Intermediate Similarity	NPC472294
0.7458	Intermediate Similarity	NPC102423
0.7458	Intermediate Similarity	NPC271734
0.7452	Intermediate Similarity	NPC471634
0.7452	Intermediate Similarity	NPC473806
0.7449	Intermediate Similarity	NPC476106
0.7446	Intermediate Similarity	NPC314394
0.7442	Intermediate Similarity	NPC105818
0.7442	Intermediate Similarity	NPC24678
0.7442	Intermediate Similarity	NPC33421
0.7432	Intermediate Similarity	NPC88363
0.743	Intermediate Similarity	NPC94541
0.743	Intermediate Similarity	NPC470843
0.743	Intermediate Similarity	NPC63751
0.7427	Intermediate Similarity	NPC141428
0.7425	Intermediate Similarity	NPC312092
0.7424	Intermediate Similarity	NPC271862
0.7419	Intermediate Similarity	NPC473189
0.7407	Intermediate Similarity	NPC473587
0.7405	Intermediate Similarity	NPC212535
0.74	Intermediate Similarity	NPC151976
0.74	Intermediate Similarity	NPC87856
0.7396	Intermediate Similarity	NPC153042
0.7391	Intermediate Similarity	NPC112547
0.7387	Intermediate Similarity	NPC234999
0.7377	Intermediate Similarity	NPC68354
0.7376	Intermediate Similarity	NPC132211
0.7374	Intermediate Similarity	NPC54988
0.7368	Intermediate Similarity	NPC212799
0.7368	Intermediate Similarity	NPC67551
0.7363	Intermediate Similarity	NPC275305
0.7363	Intermediate Similarity	NPC37423
0.7363	Intermediate Similarity	NPC267965
0.7356	Intermediate Similarity	NPC470873
0.7356	Intermediate Similarity	NPC57690
0.7346	Intermediate Similarity	NPC473762
0.7344	Intermediate Similarity	NPC11445
0.7343	Intermediate Similarity	NPC235885
0.734	Intermediate Similarity	NPC317030
0.7329	Intermediate Similarity	NPC250361
0.7326	Intermediate Similarity	NPC280290
0.7317	Intermediate Similarity	NPC179365
0.7312	Intermediate Similarity	NPC472110
0.7312	Intermediate Similarity	NPC472109
0.7308	Intermediate Similarity	NPC314603
0.7308	Intermediate Similarity	NPC474409
0.7306	Intermediate Similarity	NPC243834
0.7306	Intermediate Similarity	NPC229332
0.7306	Intermediate Similarity	NPC70956
0.7303	Intermediate Similarity	NPC282231
0.7302	Intermediate Similarity	NPC65215
0.7302	Intermediate Similarity	NPC173028
0.7292	Intermediate Similarity	NPC157828
0.7292	Intermediate Similarity	NPC195239
0.7288	Intermediate Similarity	NPC230869
0.7288	Intermediate Similarity	NPC92796
0.7288	Intermediate Similarity	NPC41257
0.7288	Intermediate Similarity	NPC135141
0.7283	Intermediate Similarity	NPC326575

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC198339 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	183
0.1-0.2	592
0.2-0.3	742
0.3-0.4	1443
0.4-0.5	3390
0.5-0.6	2149
0.6-0.7	580
0.7-0.8	82
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
0.7816	Intermediate Similarity	NPD5744	Clinical (unspecified phase)
0.7751	Intermediate Similarity	NPD4463	Approved
0.7751	Intermediate Similarity	NPD4462	Approved
0.7651	Intermediate Similarity	NPD1592	Phase 3
0.7584	Intermediate Similarity	NPD1325	Approved
0.7584	Intermediate Similarity	NPD1326	Approved
0.7552	Intermediate Similarity	NPD4600	Approved
0.7552	Intermediate Similarity	NPD4601	Approved
0.75	Intermediate Similarity	NPD6630	Clinical (unspecified phase)
0.7486	Intermediate Similarity	NPD7474	Suspended
0.7486	Intermediate Similarity	NPD8464	Clinical (unspecified phase)
0.7462	Intermediate Similarity	NPD7947	Clinical (unspecified phase)
0.7433	Intermediate Similarity	NPD8431	Approved
0.7432	Intermediate Similarity	NPD4076	Approved
0.7432	Intermediate Similarity	NPD4079	Approved
0.743	Intermediate Similarity	NPD5069	Clinical (unspecified phase)
0.7403	Intermediate Similarity	NPD7418	Discontinued
0.7401	Intermediate Similarity	NPD972	Clinical (unspecified phase)
0.7391	Intermediate Similarity	NPD6595	Phase 3
0.7377	Intermediate Similarity	NPD3506	Approved
0.7377	Intermediate Similarity	NPD3505	Approved
0.7363	Intermediate Similarity	NPD5065	Approved
0.7337	Intermediate Similarity	NPD8386	Phase 2
0.7333	Intermediate Similarity	NPD5021	Discontinued
0.7322	Intermediate Similarity	NPD2381	Approved
0.7322	Intermediate Similarity	NPD2382	Approved
0.7322	Intermediate Similarity	NPD2380	Approved
0.7316	Intermediate Similarity	NPD5913	Phase 3
0.7316	Intermediate Similarity	NPD5912	Clinical (unspecified phase)
0.7312	Intermediate Similarity	NPD5596	Phase 2
0.7308	Intermediate Similarity	NPD4112	Clinical (unspecified phase)
0.7306	Intermediate Similarity	NPD5003	Discontinued
0.7299	Intermediate Similarity	NPD6476	Clinical (unspecified phase)
0.7299	Intermediate Similarity	NPD6158	Phase 2
0.7293	Intermediate Similarity	NPD4184	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD6026	Approved
0.7273	Intermediate Similarity	NPD7958	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD7957	Phase 1
0.7263	Intermediate Similarity	NPD5140	Approved
0.7263	Intermediate Similarity	NPD5138	Approved
0.7251	Intermediate Similarity	NPD5254	Discontinued
0.7238	Intermediate Similarity	NPD2844	Phase 3
0.7219	Intermediate Similarity	NPD5522	Clinical (unspecified phase)
0.7216	Intermediate Similarity	NPD7948	Phase 1
0.7189	Intermediate Similarity	NPD6203	Clinical (unspecified phase)
0.7189	Intermediate Similarity	NPD2144	Approved
0.7186	Intermediate Similarity	NPD4880	Discontinued
0.7178	Intermediate Similarity	NPD5936	Approved
0.7178	Intermediate Similarity	NPD5939	Approved
0.7176	Intermediate Similarity	NPD3943	Clinical (unspecified phase)
0.7166	Intermediate Similarity	NPD3038	Discontinued
0.7158	Intermediate Similarity	NPD6141	Clinical (unspecified phase)
0.7157	Intermediate Similarity	NPD4511	Phase 1
0.7151	Intermediate Similarity	NPD3417	Phase 1
0.7143	Intermediate Similarity	NPD3835	Phase 3
0.7143	Intermediate Similarity	NPD3833	Phase 3
0.7143	Intermediate Similarity	NPD6610	Clinical (unspecified phase)
0.7135	Intermediate Similarity	NPD4670	Clinical (unspecified phase)
0.7135	Intermediate Similarity	NPD6375	Clinical (unspecified phase)
0.7135	Intermediate Similarity	NPD4671	Clinical (unspecified phase)
0.7135	Intermediate Similarity	NPD4669	Clinical (unspecified phase)
0.7102	Intermediate Similarity	NPD2882	Phase 1
0.7095	Intermediate Similarity	NPD1554	Clinical (unspecified phase)
0.7093	Intermediate Similarity	NPD3525	Discontinued
0.7062	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.7056	Intermediate Similarity	NPD8395	Approved
0.7056	Intermediate Similarity	NPD8396	Approved
0.7053	Intermediate Similarity	NPD6344	Clinical (unspecified phase)
0.7049	Intermediate Similarity	NPD4640	Approved
0.7049	Intermediate Similarity	NPD4638	Approved
0.7049	Intermediate Similarity	NPD4639	Approved
0.7037	Intermediate Similarity	NPD5728	Clinical (unspecified phase)
0.7031	Intermediate Similarity	NPD8110	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD6183	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD43	Approved
0.7027	Intermediate Similarity	NPD6182	Approved
0.7021	Intermediate Similarity	NPD5897	Approved
0.7021	Intermediate Similarity	NPD5898	Approved
0.7021	Intermediate Similarity	NPD5899	Approved
0.701	Intermediate Similarity	NPD6619	Phase 3
0.7005	Intermediate Similarity	NPD5164	Discontinued
0.7	Intermediate Similarity	NPD1262	Discovery
0.6995	Remote Similarity	NPD4499	Approved
0.6995	Remote Similarity	NPD2564	Approved
0.6995	Remote Similarity	NPD2565	Phase 2
0.699	Remote Similarity	NPD7707	Approved
0.699	Remote Similarity	NPD6449	Clinical (unspecified phase)
0.699	Remote Similarity	NPD8112	Clinical (unspecified phase)
0.6989	Remote Similarity	NPD6492	Phase 2
0.6978	Remote Similarity	NPD3323	Discontinued
0.6949	Remote Similarity	NPD2172	Phase 1
0.6941	Remote Similarity	NPD3864	Clinical (unspecified phase)
0.6939	Remote Similarity	NPD3791	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD1685	Approved
0.6923	Remote Similarity	NPD1684	Approved
0.6915	Remote Similarity	NPD4181	Approved
0.6912	Remote Similarity	NPD2125	Clinical (unspecified phase)
0.6911	Remote Similarity	NPD5083	Clinical (unspecified phase)
0.6907	Remote Similarity	NPD6281	Approved
0.6904	Remote Similarity	NPD7935	Phase 2
0.6897	Remote Similarity	NPD8322	Phase 2
0.6891	Remote Similarity	NPD3486	Clinical (unspecified phase)
0.6889	Remote Similarity	NPD2580	Discontinued
0.6885	Remote Similarity	NPD6635	Approved
0.6884	Remote Similarity	NPD4118	Clinical (unspecified phase)
0.6884	Remote Similarity	NPD2176	Approved
0.6884	Remote Similarity	NPD2177	Approved
0.6884	Remote Similarity	NPD2175	Phase 3
0.6882	Remote Similarity	NPD6739	Clinical (unspecified phase)
0.6878	Remote Similarity	NPD6555	Clinical (unspecified phase)
0.6862	Remote Similarity	NPD749	Clinical (unspecified phase)
0.686	Remote Similarity	NPD8094	Discontinued
0.6847	Remote Similarity	NPD3003	Approved
0.684	Remote Similarity	NPD6995	Phase 1
0.6839	Remote Similarity	NPD3834	Clinical (unspecified phase)
0.6839	Remote Similarity	NPD1722	Approved
0.6834	Remote Similarity	NPD53	Approved
0.6834	Remote Similarity	NPD7778	Approved
0.6834	Remote Similarity	NPD7777	Approved
0.6826	Remote Similarity	NPD5352	Clinical (unspecified phase)
0.6825	Remote Similarity	NPD8123	Approved
0.6825	Remote Similarity	NPD8122	Approved
0.6825	Remote Similarity	NPD6159	Phase 2
0.6821	Remote Similarity	NPD786	Approved
0.6816	Remote Similarity	NPD6145	Phase 1
0.6812	Remote Similarity	NPD8093	Discontinued
0.6811	Remote Similarity	NPD4554	Clinical (unspecified phase)
0.6809	Remote Similarity	NPD482	Approved
0.6809	Remote Similarity	NPD4128	Approved
0.6804	Remote Similarity	NPD2383	Phase 1
0.6802	Remote Similarity	NPD1038	Approved
0.68	Remote Similarity	NPD4637	Clinical (unspecified phase)
0.6798	Remote Similarity	NPD3100	Discontinued
0.6798	Remote Similarity	NPD4374	Clinical (unspecified phase)
0.6782	Remote Similarity	NPD5721	Clinical (unspecified phase)
0.678	Remote Similarity	NPD2916	Discontinued
0.678	Remote Similarity	NPD6376	Discontinued
0.6772	Remote Similarity	NPD5501	Discontinued
0.6772	Remote Similarity	NPD4075	Phase 2
0.6771	Remote Similarity	NPD2092	Phase 2
0.6771	Remote Similarity	NPD2094	Phase 2
0.6771	Remote Similarity	NPD2095	Phase 2
0.6769	Remote Similarity	NPD1534	Approved
0.6768	Remote Similarity	NPD6491	Clinical (unspecified phase)
0.6768	Remote Similarity	NPD7944	Discontinued
0.6766	Remote Similarity	NPD995	Clinical (unspecified phase)
0.6763	Remote Similarity	NPD7470	Discontinued
0.6763	Remote Similarity	NPD6220	Phase 3
0.6751	Remote Similarity	NPD3404	Approved
0.6749	Remote Similarity	NPD6176	Phase 1
0.6749	Remote Similarity	NPD8072	Approved
0.6749	Remote Similarity	NPD2920	Discontinued
0.6746	Remote Similarity	NPD5902	Approved
0.6746	Remote Similarity	NPD5903	Approved
0.6744	Remote Similarity	NPD198	Clinical (unspecified phase)
0.6736	Remote Similarity	NPD2091	Phase 2
0.6736	Remote Similarity	NPD2096	Phase 2
0.6732	Remote Similarity	NPD6838	Clinical (unspecified phase)
0.6732	Remote Similarity	NPD8493	Clinical (unspecified phase)
0.673	Remote Similarity	NPD8405	Clinical (unspecified phase)
0.6725	Remote Similarity	NPD3385	Approved
0.6718	Remote Similarity	NPD3961	Discontinued
0.6716	Remote Similarity	NPD5901	Discontinued
0.6702	Remote Similarity	NPD3610	Approved
0.6702	Remote Similarity	NPD5398	Clinical (unspecified phase)
0.6702	Remote Similarity	NPD3609	Approved
0.6701	Remote Similarity	NPD7424	Clinical (unspecified phase)
0.67	Remote Similarity	NPD8073	Approved
0.67	Remote Similarity	NPD6975	Discontinued
0.6699	Remote Similarity	NPD7276	Approved
0.6699	Remote Similarity	NPD7277	Approved
0.6685	Remote Similarity	NPD1683	Approved
0.6685	Remote Similarity	NPD1528	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD4779	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD4345	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD5100	Phase 3
0.6684	Remote Similarity	NPD7233	Approved
0.6684	Remote Similarity	NPD7234	Approved
0.6683	Remote Similarity	NPD4501	Approved
0.6683	Remote Similarity	NPD4862	Clinical (unspecified phase)
0.6683	Remote Similarity	NPD4500	Approved
0.6683	Remote Similarity	NPD5066	Phase 2
0.6683	Remote Similarity	NPD5067	Phase 2
0.6667	Remote Similarity	NPD5473	Discontinued
0.6667	Remote Similarity	NPD6452	Discontinued
0.6667	Remote Similarity	NPD6503	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD4550	Clinical (unspecified phase)
0.665	Remote Similarity	NPD7452	Approved
0.665	Remote Similarity	NPD6290	Phase 2
0.665	Remote Similarity	NPD7222	Phase 2
0.665	Remote Similarity	NPD7453	Approved
0.6648	Remote Similarity	NPD4702	Approved
0.6648	Remote Similarity	NPD5020	Approved
0.6648	Remote Similarity	NPD4703	Approved
0.6636	Remote Similarity	NPD6978	Phase 2
0.6636	Remote Similarity	NPD6977	Clinical (unspecified phase)
0.6635	Remote Similarity	NPD5612	Discontinued
0.6635	Remote Similarity	NPD7809	Clinical (unspecified phase)
0.6635	Remote Similarity	NPD7825	Clinical (unspecified phase)
0.6635	Remote Similarity	NPD7998	Clinical (unspecified phase)

Structure

NPC198339 OpenBabel07101718282D 31 35 0 0 1 0 0 0 0 0999 V2000 -6.2845 -1.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4426 -2.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4981 0.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3954 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1047 -0.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1047 0.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9842 -0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2627 -0.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2627 1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6839 -0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6839 1.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4704 -1.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 -0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9246 -1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.9722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4207 -0.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4961 -0.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4207 0.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6839 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5259 1.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9246 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4426 -1.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5259 0.4861 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8420 0.4861 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4961 1.0870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3679 1.9444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9287 -0.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 25 1 0 0 0 0 4 27 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 8 14 2 0 0 0 0 8 15 1 0 0 0 0 9 19 2 0 0 0 0 10 21 2 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 22 1 0 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 28 1 6 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 24 2 0 0 0 0 21 29 1 0 0 0 0 22 26 1 1 0 0 0 22 27 1 0 0 0 0 23 26 1 1 0 0 0 23 30 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 25 31 1 0 0 0 0 26 3 1 1 0 0 0 27 28 1 6 0 0 0 28 5 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	46945861
ChEMBL	CHEMBL1258978
ZINC

Physicochemical Properties

Molecular Weight:	421.30
ALogP:	0.9781
MLogP:	4.21
XLogP:	6.364
# Rotatable Bonds:	10
Polar Surface Area:	56.25
# H-Bond Aceptor:	3
# H-Bond Donor:	3
# Rings:	5
# Heavy Atoms:	31

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