NPASS Natural Product

Natural Product: NPC232130

Natural Product ID:	NPC232130
Common Name:	n.a.
IUPAC Name:
Synonyms:	3,4-Dihydromanzamine A N-Oxide
Molecular Formula:	C36H46N4O2
Standard InCHIKey:	SPQVJBJQVWOEOF-MKYGIPPKSA-N
Standard InCHI:	InChI=1S/C36H46N4O2/c41-36-18-10-4-1-2-5-11-19-38-21-17-30(35(25-38)23-26-13-7-3-6-12-20-39(26)34(35)36)29(24-36)33-32-28(16-22-40(33)42)27-14-8-9-15-31(27)37-32/h1,4,7-9,13-15,24,26,30,34,37,41H,2-3,5-6,10-12,16-23,25H2/b4-1-,13-7-/t26-,30-,34+,35-,36-/m0/s1
Canonical SMILES:	O=N1=C(c2c(CC1)c1c([nH]2)cccc1)C1=C[C@@]2(O)CC/C=CCCCCN3CC[C@@H]1[C@@]1([C@H]2N2[C@H](C1)C=CCCCC2)C3
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
NPO33515	xestospongia ashmorica	Species	Petrosiidae	Eukaryota		Philippines		PMID[8946747]

Biological Activity

Activity Type	# Activity
ED50	1
Others	1

Activity Type	# Activity
Cell Line	1
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1864	Cell Line	L5178Y	Mus musculus	ED50	=	1.6	ug/ml	25682561
NPT776	Organism	Spodoptera littoralis	Spodoptera littoralis	Inhibition	=	26.4	%	PubChem BioAssay data set

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 NPC232130 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	385
0.1-0.2	1743
0.2-0.3	11343
0.3-0.4	12380
0.4-0.5	2202
0.5-0.6	1553
0.6-0.7	989
0.7-0.8	279
0.8-0.85	12
0.85-0.9	3
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8958	High Similarity	NPC250835
0.8789	High Similarity	NPC473362
0.8789	High Similarity	NPC166492
0.8446	Intermediate Similarity	NPC475288
0.8272	Intermediate Similarity	NPC265576
0.8259	Intermediate Similarity	NPC473310
0.8182	Intermediate Similarity	NPC475422
0.815	Intermediate Similarity	NPC473757
0.8116	Intermediate Similarity	NPC6215
0.809	Intermediate Similarity	NPC16667
0.8081	Intermediate Similarity	NPC87755
0.8069	Intermediate Similarity	NPC472027
0.8068	Intermediate Similarity	NPC285469
0.8066	Intermediate Similarity	NPC280548
0.8049	Intermediate Similarity	NPC471506
0.7978	Intermediate Similarity	NPC67056
0.7935	Intermediate Similarity	NPC329688
0.7935	Intermediate Similarity	NPC189812
0.7915	Intermediate Similarity	NPC476451
0.791	Intermediate Similarity	NPC38736
0.791	Intermediate Similarity	NPC207726
0.7903	Intermediate Similarity	NPC472443
0.7892	Intermediate Similarity	NPC288785
0.7886	Intermediate Similarity	NPC37548
0.788	Intermediate Similarity	NPC34508
0.7872	Intermediate Similarity	NPC19679
0.7872	Intermediate Similarity	NPC472444
0.7857	Intermediate Similarity	NPC476492
0.7831	Intermediate Similarity	NPC472294
0.7814	Intermediate Similarity	NPC317430
0.7807	Intermediate Similarity	NPC270009
0.7802	Intermediate Similarity	NPC470508
0.7789	Intermediate Similarity	NPC15102
0.7784	Intermediate Similarity	NPC187951
0.7773	Intermediate Similarity	NPC476491
0.7765	Intermediate Similarity	NPC141353
0.776	Intermediate Similarity	NPC46413
0.7754	Intermediate Similarity	NPC59269
0.7747	Intermediate Similarity	NPC472587
0.7742	Intermediate Similarity	NPC472586
0.7734	Intermediate Similarity	NPC126066
0.7709	Intermediate Similarity	NPC470507
0.7688	Intermediate Similarity	NPC472123
0.7684	Intermediate Similarity	NPC124005
0.7667	Intermediate Similarity	NPC184476
0.7663	Intermediate Similarity	NPC49954
0.7663	Intermediate Similarity	NPC474561
0.7657	Intermediate Similarity	NPC242556
0.7653	Intermediate Similarity	NPC133366
0.7642	Intermediate Similarity	NPC909
0.7642	Intermediate Similarity	NPC475338
0.7634	Intermediate Similarity	NPC6982
0.7632	Intermediate Similarity	NPC192270
0.7622	Intermediate Similarity	NPC63751
0.7621	Intermediate Similarity	NPC475602
0.7615	Intermediate Similarity	NPC41679
0.7606	Intermediate Similarity	NPC475258
0.7598	Intermediate Similarity	NPC476116
0.7592	Intermediate Similarity	NPC472108
0.7592	Intermediate Similarity	NPC139291
0.7588	Intermediate Similarity	NPC32200
0.7571	Intermediate Similarity	NPC129042
0.7568	Intermediate Similarity	NPC160105
0.7566	Intermediate Similarity	NPC293472
0.7541	Intermediate Similarity	NPC279918
0.7541	Intermediate Similarity	NPC473320
0.7534	Intermediate Similarity	NPC471891
0.7527	Intermediate Similarity	NPC154293
0.7514	Intermediate Similarity	NPC471458
0.7513	Intermediate Similarity	NPC474177
0.75	Intermediate Similarity	NPC282231
0.75	Intermediate Similarity	NPC314603
0.7487	Intermediate Similarity	NPC198339
0.7487	Intermediate Similarity	NPC91179
0.7486	Intermediate Similarity	NPC475990
0.7476	Intermediate Similarity	NPC477714
0.7474	Intermediate Similarity	NPC326575
0.7466	Intermediate Similarity	NPC81175
0.7459	Intermediate Similarity	NPC194640
0.7453	Intermediate Similarity	NPC474896
0.7449	Intermediate Similarity	NPC95783
0.7444	Intermediate Similarity	NPC33421
0.7442	Intermediate Similarity	NPC470126
0.7435	Intermediate Similarity	NPC133261
0.7432	Intermediate Similarity	NPC473312
0.7429	Intermediate Similarity	NPC477715
0.7418	Intermediate Similarity	NPC31097
0.7398	Intermediate Similarity	NPC173028
0.7398	Intermediate Similarity	NPC213629
0.7398	Intermediate Similarity	NPC65215
0.7381	Intermediate Similarity	NPC183407
0.738	Intermediate Similarity	NPC54988
0.7379	Intermediate Similarity	NPC314957
0.7376	Intermediate Similarity	NPC249040
0.7366	Intermediate Similarity	NPC469541
0.7366	Intermediate Similarity	NPC271734
0.736	Intermediate Similarity	NPC314333
0.7354	Intermediate Similarity	NPC158129
0.7347	Intermediate Similarity	NPC204565
0.7347	Intermediate Similarity	NPC317030
0.7345	Intermediate Similarity	NPC471564
0.7344	Intermediate Similarity	NPC176199
0.7344	Intermediate Similarity	NPC215795
0.734	Intermediate Similarity	NPC201700
0.7337	Intermediate Similarity	NPC299594
0.7333	Intermediate Similarity	NPC476319
0.7333	Intermediate Similarity	NPC21605
0.7324	Intermediate Similarity	NPC272174
0.7322	Intermediate Similarity	NPC70922
0.7322	Intermediate Similarity	NPC80597
0.7322	Intermediate Similarity	NPC212376
0.7322	Intermediate Similarity	NPC211572
0.7322	Intermediate Similarity	NPC75540
0.732	Intermediate Similarity	NPC472110
0.732	Intermediate Similarity	NPC472109
0.731	Intermediate Similarity	NPC34271
0.7302	Intermediate Similarity	NPC194411
0.73	Intermediate Similarity	NPC157828
0.73	Intermediate Similarity	NPC195239
0.7299	Intermediate Similarity	NPC251936
0.7297	Intermediate Similarity	NPC474880
0.7297	Intermediate Similarity	NPC221786
0.7296	Intermediate Similarity	NPC474707
0.7292	Intermediate Similarity	NPC15573
0.7292	Intermediate Similarity	NPC183662
0.7292	Intermediate Similarity	NPC68354
0.7292	Intermediate Similarity	NPC151939
0.7292	Intermediate Similarity	NPC217372
0.7291	Intermediate Similarity	NPC106771
0.7291	Intermediate Similarity	NPC23420
0.7291	Intermediate Similarity	NPC303820
0.7291	Intermediate Similarity	NPC205254
0.7288	Intermediate Similarity	NPC59084
0.7282	Intermediate Similarity	NPC165201
0.7277	Intermediate Similarity	NPC50503
0.7273	Intermediate Similarity	NPC469501
0.7273	Intermediate Similarity	NPC469470
0.7273	Intermediate Similarity	NPC329858
0.7273	Intermediate Similarity	NPC476118
0.7268	Intermediate Similarity	NPC469763
0.7268	Intermediate Similarity	NPC469760
0.7268	Intermediate Similarity	NPC73952
0.7268	Intermediate Similarity	NPC25008
0.7268	Intermediate Similarity	NPC314394
0.7268	Intermediate Similarity	NPC98715
0.7268	Intermediate Similarity	NPC233936
0.7268	Intermediate Similarity	NPC259644
0.7268	Intermediate Similarity	NPC469765
0.7268	Intermediate Similarity	NPC469786
0.7264	Intermediate Similarity	NPC11445
0.726	Intermediate Similarity	NPC271862
0.7259	Intermediate Similarity	NPC17059
0.7258	Intermediate Similarity	NPC255229
0.7258	Intermediate Similarity	NPC229173
0.7258	Intermediate Similarity	NPC81229
0.7255	Intermediate Similarity	NPC52909
0.7255	Intermediate Similarity	NPC300183
0.7255	Intermediate Similarity	NPC94211
0.7255	Intermediate Similarity	NPC475935
0.7254	Intermediate Similarity	NPC219336
0.7249	Intermediate Similarity	NPC476493
0.7248	Intermediate Similarity	NPC253580
0.7247	Intermediate Similarity	NPC473868
0.7247	Intermediate Similarity	NPC63157
0.7246	Intermediate Similarity	NPC477065
0.7245	Intermediate Similarity	NPC473189
0.7243	Intermediate Similarity	NPC469762
0.7241	Intermediate Similarity	NPC100321
0.7228	Intermediate Similarity	NPC229332
0.7225	Intermediate Similarity	NPC234999
0.7225	Intermediate Similarity	NPC97525
0.7222	Intermediate Similarity	NPC175474
0.7217	Intermediate Similarity	NPC469928
0.7216	Intermediate Similarity	NPC300688
0.7214	Intermediate Similarity	NPC195314
0.7208	Intermediate Similarity	NPC478077
0.7206	Intermediate Similarity	NPC49196
0.7206	Intermediate Similarity	NPC195461
0.7206	Intermediate Similarity	NPC313985
0.7206	Intermediate Similarity	NPC81654
0.7206	Intermediate Similarity	NPC249150
0.7206	Intermediate Similarity	NPC79129
0.7204	Intermediate Similarity	NPC469592
0.7204	Intermediate Similarity	NPC135141
0.7204	Intermediate Similarity	NPC471080
0.7204	Intermediate Similarity	NPC92796
0.7202	Intermediate Similarity	NPC248454
0.7194	Intermediate Similarity	NPC165495
0.7192	Intermediate Similarity	NPC171317
0.7192	Intermediate Similarity	NPC52557
0.7192	Intermediate Similarity	NPC473640
0.7191	Intermediate Similarity	NPC2949
0.7189	Intermediate Similarity	NPC469785
0.7188	Intermediate Similarity	NPC37423
0.7188	Intermediate Similarity	NPC275305
0.7186	Intermediate Similarity	NPC472112
0.7181	Intermediate Similarity	NPC311276
0.7179	Intermediate Similarity	NPC302191
0.7178	Intermediate Similarity	NPC205403
0.7178	Intermediate Similarity	NPC231342

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC232130 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	207
0.1-0.2	549
0.2-0.3	1044
0.3-0.4	1594
0.4-0.5	2789
0.5-0.6	2197
0.6-0.7	710
0.7-0.8	71
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
0.7802	Intermediate Similarity	NPD5744	Clinical (unspecified phase)
0.7789	Intermediate Similarity	NPD6610	Clinical (unspecified phase)
0.7766	Intermediate Similarity	NPD8464	Clinical (unspecified phase)
0.766	Intermediate Similarity	NPD6203	Clinical (unspecified phase)
0.7619	Intermediate Similarity	NPD8386	Phase 2
0.7581	Intermediate Similarity	NPD1326	Approved
0.7581	Intermediate Similarity	NPD4184	Clinical (unspecified phase)
0.7581	Intermediate Similarity	NPD1325	Approved
0.7553	Intermediate Similarity	NPD5065	Approved
0.75	Intermediate Similarity	NPD6630	Clinical (unspecified phase)
0.7444	Intermediate Similarity	NPD4462	Approved
0.7444	Intermediate Similarity	NPD4463	Approved
0.7436	Intermediate Similarity	NPD8431	Approved
0.7409	Intermediate Similarity	NPD5596	Phase 2
0.7396	Intermediate Similarity	NPD6595	Phase 3
0.736	Intermediate Similarity	NPD4499	Approved
0.735	Intermediate Similarity	NPD6449	Clinical (unspecified phase)
0.7344	Intermediate Similarity	NPD4076	Approved
0.7344	Intermediate Similarity	NPD4079	Approved
0.733	Intermediate Similarity	NPD6375	Clinical (unspecified phase)
0.7316	Intermediate Similarity	NPD4112	Clinical (unspecified phase)
0.7292	Intermediate Similarity	NPD3506	Approved
0.7292	Intermediate Similarity	NPD3505	Approved
0.7273	Intermediate Similarity	NPD5140	Approved
0.7273	Intermediate Similarity	NPD5138	Approved
0.7259	Intermediate Similarity	NPD6141	Clinical (unspecified phase)
0.7259	Intermediate Similarity	NPD3486	Clinical (unspecified phase)
0.7259	Intermediate Similarity	NPD3961	Discontinued
0.7249	Intermediate Similarity	NPD5069	Clinical (unspecified phase)
0.724	Intermediate Similarity	NPD2382	Approved
0.724	Intermediate Similarity	NPD2381	Approved
0.724	Intermediate Similarity	NPD2380	Approved
0.7236	Intermediate Similarity	NPD5912	Clinical (unspecified phase)
0.7236	Intermediate Similarity	NPD5913	Phase 3
0.7231	Intermediate Similarity	NPD5728	Clinical (unspecified phase)
0.7228	Intermediate Similarity	NPD7948	Phase 1
0.7215	Intermediate Similarity	NPD7824	Approved
0.7206	Intermediate Similarity	NPD4601	Approved
0.7206	Intermediate Similarity	NPD4600	Approved
0.7164	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.7157	Intermediate Similarity	NPD4118	Clinical (unspecified phase)
0.7157	Intermediate Similarity	NPD7621	Clinical (unspecified phase)
0.7151	Intermediate Similarity	NPD1592	Phase 3
0.7143	Intermediate Similarity	NPD7716	Approved
0.7143	Intermediate Similarity	NPD7717	Approved
0.7136	Intermediate Similarity	NPD8110	Clinical (unspecified phase)
0.7129	Intermediate Similarity	NPD7947	Clinical (unspecified phase)
0.7123	Intermediate Similarity	NPD7731	Approved
0.7123	Intermediate Similarity	NPD7730	Approved
0.712	Intermediate Similarity	NPD6158	Phase 2
0.712	Intermediate Similarity	NPD6476	Clinical (unspecified phase)
0.7114	Intermediate Similarity	NPD3404	Approved
0.7113	Intermediate Similarity	NPD2144	Approved
0.711	Intermediate Similarity	NPD7271	Approved
0.7092	Intermediate Similarity	NPD3038	Discontinued
0.7087	Intermediate Similarity	NPD4511	Phase 1
0.7081	Intermediate Similarity	NPD8493	Clinical (unspecified phase)
0.7073	Intermediate Similarity	NPD8396	Approved
0.7073	Intermediate Similarity	NPD8395	Approved
0.7071	Intermediate Similarity	NPD6344	Clinical (unspecified phase)
0.7071	Intermediate Similarity	NPD6227	Discontinued
0.7067	Intermediate Similarity	NPD5426	Phase 3
0.705	Intermediate Similarity	NPD6965	Clinical (unspecified phase)
0.7032	Intermediate Similarity	NPD6976	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD2882	Phase 1
0.7026	Intermediate Similarity	NPD4181	Approved
0.7014	Intermediate Similarity	NPD7781	Approved
0.7014	Intermediate Similarity	NPD7780	Approved
0.701	Intermediate Similarity	NPD4128	Approved
0.7	Intermediate Similarity	NPD2383	Phase 1
0.7	Intermediate Similarity	NPD3323	Discontinued
0.6995	Remote Similarity	NPD8093	Discontinued
0.6986	Remote Similarity	NPD5901	Discontinued
0.6979	Remote Similarity	NPD4638	Approved
0.6979	Remote Similarity	NPD4640	Approved
0.6979	Remote Similarity	NPD4639	Approved
0.6979	Remote Similarity	NPD2844	Phase 3
0.6979	Remote Similarity	NPD5021	Discontinued
0.6976	Remote Similarity	NPD5003	Discontinued
0.6974	Remote Similarity	NPD4075	Phase 2
0.6973	Remote Similarity	NPD2172	Phase 1
0.697	Remote Similarity	NPD2094	Phase 2
0.697	Remote Similarity	NPD2095	Phase 2
0.697	Remote Similarity	NPD2092	Phase 2
0.697	Remote Similarity	NPD5522	Clinical (unspecified phase)
0.6968	Remote Similarity	NPD6978	Phase 2
0.6968	Remote Similarity	NPD6977	Clinical (unspecified phase)
0.6964	Remote Similarity	NPD7791	Approved
0.6964	Remote Similarity	NPD7952	Approved
0.6964	Remote Similarity	NPD7790	Approved
0.6964	Remote Similarity	NPD7953	Approved
0.6964	Remote Similarity	NPD7950	Approved
0.6964	Remote Similarity	NPD7789	Approved
0.6964	Remote Similarity	NPD7951	Approved
0.6961	Remote Similarity	NPD4602	Approved
0.6957	Remote Similarity	NPD4500	Approved
0.6957	Remote Similarity	NPD4501	Approved
0.6954	Remote Similarity	NPD5473	Discontinued
0.6954	Remote Similarity	NPD6452	Discontinued
0.6952	Remote Similarity	NPD7958	Clinical (unspecified phase)
0.6952	Remote Similarity	NPD7957	Phase 1
0.6948	Remote Similarity	NPD7470	Discontinued
0.6942	Remote Similarity	NPD7889	Clinical (unspecified phase)
0.6935	Remote Similarity	NPD2091	Phase 2
0.6935	Remote Similarity	NPD2096	Phase 2
0.6931	Remote Similarity	NPD5255	Approved
0.6923	Remote Similarity	NPD482	Approved
0.6923	Remote Similarity	NPD4637	Clinical (unspecified phase)
0.6919	Remote Similarity	NPD6838	Clinical (unspecified phase)
0.6919	Remote Similarity	NPD3100	Discontinued
0.6916	Remote Similarity	NPD3330	Phase 1
0.6916	Remote Similarity	NPD7594	Clinical (unspecified phase)
0.6908	Remote Similarity	NPD7000	Clinical (unspecified phase)
0.6908	Remote Similarity	NPD3814	Phase 1
0.6908	Remote Similarity	NPD6999	Discontinued
0.6907	Remote Similarity	NPD5934	Clinical (unspecified phase)
0.6906	Remote Similarity	NPD3943	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD5592	Clinical (unspecified phase)
0.6887	Remote Similarity	NPD2916	Discontinued
0.6887	Remote Similarity	NPD7666	Phase 3
0.6887	Remote Similarity	NPD7665	Phase 2
0.6885	Remote Similarity	NPD5254	Discontinued
0.6884	Remote Similarity	NPD8094	Discontinued
0.6884	Remote Similarity	NPD8488	Clinical (unspecified phase)
0.6878	Remote Similarity	NPD4671	Clinical (unspecified phase)
0.6878	Remote Similarity	NPD4670	Clinical (unspecified phase)
0.6878	Remote Similarity	NPD7618	Phase 3
0.6878	Remote Similarity	NPD7619	Phase 3
0.6878	Remote Similarity	NPD4669	Clinical (unspecified phase)
0.6868	Remote Similarity	NPD1722	Approved
0.6865	Remote Similarity	NPD4703	Approved
0.6865	Remote Similarity	NPD4702	Approved
0.6857	Remote Similarity	NPD5487	Phase 1
0.6857	Remote Similarity	NPD4886	Phase 2
0.6854	Remote Similarity	NPD2125	Clinical (unspecified phase)
0.6853	Remote Similarity	NPD6159	Phase 2
0.6847	Remote Similarity	NPD6281	Approved
0.684	Remote Similarity	NPD8322	Phase 2
0.6837	Remote Similarity	NPD6492	Phase 2
0.6837	Remote Similarity	NPD8458	Clinical (unspecified phase)
0.6835	Remote Similarity	NPD8405	Clinical (unspecified phase)
0.6828	Remote Similarity	NPD4374	Clinical (unspecified phase)
0.6827	Remote Similarity	NPD6248	Phase 2
0.6827	Remote Similarity	NPD6249	Phase 2
0.6822	Remote Similarity	NPD7809	Clinical (unspecified phase)
0.6822	Remote Similarity	NPD3014	Clinical (unspecified phase)
0.6822	Remote Similarity	NPD3013	Phase 3
0.6812	Remote Similarity	NPD6664	Approved
0.6812	Remote Similarity	NPD7081	Clinical (unspecified phase)
0.6811	Remote Similarity	NPD1683	Approved
0.681	Remote Similarity	NPD8073	Approved
0.6809	Remote Similarity	NPD2837	Discontinued
0.6804	Remote Similarity	NPD4779	Clinical (unspecified phase)
0.6802	Remote Similarity	NPD749	Clinical (unspecified phase)
0.6802	Remote Similarity	NPD5100	Phase 3
0.6802	Remote Similarity	NPD5104	Approved
0.6791	Remote Similarity	NPD3835	Phase 3
0.6791	Remote Similarity	NPD3833	Phase 3
0.6791	Remote Similarity	NPD8013	Clinical (unspecified phase)
0.6789	Remote Similarity	NPD7823	Clinical (unspecified phase)
0.6788	Remote Similarity	NPD2915	Discontinued
0.6784	Remote Similarity	NPD6277	Clinical (unspecified phase)
0.6779	Remote Similarity	NPD3230	Clinical (unspecified phase)
0.6778	Remote Similarity	NPD3864	Clinical (unspecified phase)
0.6771	Remote Similarity	NPD1685	Approved
0.6771	Remote Similarity	NPD1684	Approved
0.6771	Remote Similarity	NPD972	Clinical (unspecified phase)
0.6768	Remote Similarity	NPD8122	Approved
0.6768	Remote Similarity	NPD8123	Approved
0.6766	Remote Similarity	NPD6503	Clinical (unspecified phase)
0.6765	Remote Similarity	NPD2564	Approved
0.6765	Remote Similarity	NPD2565	Phase 2
0.6763	Remote Similarity	NPD7818	Clinical (unspecified phase)
0.676	Remote Similarity	NPD3385	Approved
0.675	Remote Similarity	NPD7867	Phase 1
0.6746	Remote Similarity	NPD2176	Approved
0.6746	Remote Similarity	NPD2175	Phase 3
0.6746	Remote Similarity	NPD2177	Approved
0.6745	Remote Similarity	NPD8098	Approved
0.6745	Remote Similarity	NPD8272	Phase 2
0.6744	Remote Similarity	NPD7998	Clinical (unspecified phase)
0.6735	Remote Similarity	NPD3610	Approved
0.6735	Remote Similarity	NPD3609	Approved
0.6733	Remote Similarity	NPD5075	Discontinued
0.6727	Remote Similarity	NPD7194	Discontinued
0.6721	Remote Similarity	NPD8363	Approved
0.6721	Remote Similarity	NPD8364	Approved
0.6718	Remote Similarity	NPD2641	Approved
0.6718	Remote Similarity	NPD2640	Approved
0.6718	Remote Similarity	NPD2185	Clinical (unspecified phase)
0.6715	Remote Similarity	NPD3810	Clinical (unspecified phase)
0.6714	Remote Similarity	NPD3003	Approved
0.6714	Remote Similarity	NPD4901	Clinical (unspecified phase)
0.6712	Remote Similarity	NPD8406	Clinical (unspecified phase)
0.6712	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.6709	Remote Similarity	NPD8358	Approved
0.6702	Remote Similarity	NPD4326	Phase 2
0.6701	Remote Similarity	NPD4550	Clinical (unspecified phase)
0.6701	Remote Similarity	NPD750	Phase 2
0.67	Remote Similarity	NPD706	Phase 1

Structure

NPC232130 OpenBabel07101719512D 42 49 0 0 1 0 0 0 0 0999 V2000 3.6136 -0.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5684 -1.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4829 0.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3929 -0.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2664 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9085 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 -0.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2791 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8817 -0.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9501 0.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7673 -2.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9434 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5395 -0.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7048 -1.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9099 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0068 -3.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4559 -1.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3729 0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 -2.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1529 0.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3429 -2.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1606 -3.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6218 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5744 -0.7905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7330 -1.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0068 -2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6218 -1.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7756 -1.7677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3355 -0.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1606 -1.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3143 -2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9293 -0.3020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9293 -1.2791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7756 0.1866 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3637 -0.8119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5928 -2.2523 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 4.3143 -3.2334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2298 0.9972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4681 -3.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 2 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 13 26 1 0 0 0 0 14 27 2 0 0 0 0 15 31 2 0 0 0 0 16 22 1 0 0 0 0 16 28 1 0 0 0 0 17 21 1 0 0 0 0 17 30 1 0 0 0 0 18 36 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 38 1 0 0 0 0 22 40 1 0 0 0 0 23 26 1 0 0 0 0 24 29 2 0 0 0 0 24 36 1 0 0 0 0 25 35 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 6 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 32 2 0 0 0 0 29 30 1 0 0 0 0 29 33 1 0 0 0 0 30 35 1 1 0 0 0 31 37 1 0 0 0 0 32 33 1 0 0 0 0 32 37 1 0 0 0 0 33 40 2 0 0 0 0 34 35 1 1 0 0 0 34 36 1 0 0 0 0 34 39 1 0 0 0 0 35 23 1 1 0 0 0 36 41 1 1 0 0 0 40 42 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL509905
ZINC

Physicochemical Properties

Molecular Weight:	566.36
ALogP:	-1.0625
MLogP:	4.76
XLogP:	4.849
# Rotatable Bonds:	2
Polar Surface Area:	71.25
# H-Bond Aceptor:	4
# H-Bond Donor:	2
# Rings:	8
# Heavy Atoms:	42

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