NPASS Natural Product

Natural Product: NPC6093

Natural Product ID:	NPC6093
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C28H37NO
Standard InCHIKey:	WQLADPPAYVUSAB-VSUSBFIXSA-N
Standard InCHI:	InChI=1S/C28H37NO/c1-17(2)14-19-16-26(3)23-11-10-18-15-21-20-8-6-7-9-22(20)29-25(21)28(18,5)27(23,4)13-12-24(26)30-19/h6-9,14,18-19,23-24,29H,10-13,15-16H2,1-5H3/t18-,19-,23-,24-,26-,27-,28+/m0/s1
Canonical SMILES:	CC(=C[C@@H]1O[C@@H]2[C@](C1)(C)[C@@H]1CC[C@@H]3[C@]([C@]1(CC2)C)(C)c1[nH]c2c(c1C3)cccc2)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
IC50	2
Ki	2
Others	3

Activity Type	# Activity
Individual Protein	6
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT4120	Individual Protein	G-protein coupled receptor 55	Homo sapiens	IC50	>	10000	nM	20727622
NPT4120	Individual Protein	G-protein coupled receptor 55	Homo sapiens	Inhibition	=	0	%	22001028
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	4400	nM	19805554
NPT204	Individual Protein	Acetylcholinesterase	Homo sapiens	Inhibition	=	-7.6	%	DrugMatrix in vitro pharmacology data
NPT176	Organism	Artemia salina	Artemia salina	Activity	=	74.2	%	DrugMatrix in vitro pharmacology data
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	4760	nM	24180210
NPT4119	Individual Protein	N-arachidonyl glycine receptor	Homo sapiens	IC50	=	9910	nM	24180210

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 NPC6093 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	352
0.1-0.2	1353
0.2-0.3	4565
0.3-0.4	16164
0.4-0.5	5718
0.5-0.6	1506
0.6-0.7	971
0.7-0.8	235
0.8-0.85	15
0.85-0.9	6
0.9-0.95	4
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9264	High Similarity	NPC97525
0.9217	High Similarity	NPC198339
0.9176	High Similarity	NPC34271
0.9053	High Similarity	NPC165201
0.8895	High Similarity	NPC119700
0.8824	High Similarity	NPC302191
0.8793	High Similarity	NPC206967
0.8571	High Similarity	NPC123019
0.8564	High Similarity	NPC475151
0.8547	High Similarity	NPC231342
0.8449	Intermediate Similarity	NPC475165
0.8404	Intermediate Similarity	NPC250129
0.8402	Intermediate Similarity	NPC154293
0.8352	Intermediate Similarity	NPC473747
0.8333	Intermediate Similarity	NPC300688
0.8316	Intermediate Similarity	NPC473547
0.8305	Intermediate Similarity	NPC99428
0.8304	Intermediate Similarity	NPC126492
0.8272	Intermediate Similarity	NPC97388
0.8263	Intermediate Similarity	NPC235900
0.8177	Intermediate Similarity	NPC471284
0.8138	Intermediate Similarity	NPC187456
0.8138	Intermediate Similarity	NPC18661
0.8093	Intermediate Similarity	NPC96131
0.8011	Intermediate Similarity	NPC151939
0.7946	Intermediate Similarity	NPC205403
0.7944	Intermediate Similarity	NPC476319
0.7917	Intermediate Similarity	NPC284102
0.7897	Intermediate Similarity	NPC473650
0.7897	Intermediate Similarity	NPC160527
0.7879	Intermediate Similarity	NPC61813
0.7874	Intermediate Similarity	NPC201700
0.7861	Intermediate Similarity	NPC79107
0.7861	Intermediate Similarity	NPC475424
0.7845	Intermediate Similarity	NPC473189
0.7784	Intermediate Similarity	NPC477134
0.7784	Intermediate Similarity	NPC126066
0.7749	Intermediate Similarity	NPC477135
0.774	Intermediate Similarity	NPC34508
0.7739	Intermediate Similarity	NPC475476
0.7739	Intermediate Similarity	NPC242446
0.7735	Intermediate Similarity	NPC19679
0.7717	Intermediate Similarity	NPC46413
0.7707	Intermediate Similarity	NPC282033
0.7701	Intermediate Similarity	NPC181502
0.7701	Intermediate Similarity	NPC85066
0.7632	Intermediate Similarity	NPC32200
0.7605	Intermediate Similarity	NPC242556
0.7578	Intermediate Similarity	NPC475450
0.7569	Intermediate Similarity	NPC270009
0.7558	Intermediate Similarity	NPC471458
0.7552	Intermediate Similarity	NPC267423
0.7552	Intermediate Similarity	NPC476044
0.7531	Intermediate Similarity	NPC473930
0.7529	Intermediate Similarity	NPC124005
0.7516	Intermediate Similarity	NPC475428
0.7514	Intermediate Similarity	NPC285469
0.7514	Intermediate Similarity	NPC184476
0.75	Intermediate Similarity	NPC189812
0.75	Intermediate Similarity	NPC311276
0.75	Intermediate Similarity	NPC329688
0.75	Intermediate Similarity	NPC470280
0.7486	Intermediate Similarity	NPC473320
0.7486	Intermediate Similarity	NPC192270
0.7485	Intermediate Similarity	NPC33421
0.747	Intermediate Similarity	NPC312092
0.7459	Intermediate Similarity	NPC56618
0.7457	Intermediate Similarity	NPC470507
0.7453	Intermediate Similarity	NPC473587
0.7448	Intermediate Similarity	NPC476175
0.7446	Intermediate Similarity	NPC472444
0.7443	Intermediate Similarity	NPC16667
0.744	Intermediate Similarity	NPC311330
0.743	Intermediate Similarity	NPC280548
0.7427	Intermediate Similarity	NPC37548
0.7424	Intermediate Similarity	NPC475422
0.7418	Intermediate Similarity	NPC293472
0.7412	Intermediate Similarity	NPC129042
0.7411	Intermediate Similarity	NPC61637
0.7411	Intermediate Similarity	NPC87755
0.7405	Intermediate Similarity	NPC472294
0.7404	Intermediate Similarity	NPC471634
0.7404	Intermediate Similarity	NPC473806
0.7399	Intermediate Similarity	NPC200743
0.7391	Intermediate Similarity	NPC473762
0.7383	Intermediate Similarity	NPC94541
0.7383	Intermediate Similarity	NPC470843
0.7377	Intermediate Similarity	NPC472443
0.7375	Intermediate Similarity	NPC250361
0.7362	Intermediate Similarity	NPC179365
0.736	Intermediate Similarity	NPC470508
0.7356	Intermediate Similarity	NPC38736
0.7356	Intermediate Similarity	NPC207726
0.7353	Intermediate Similarity	NPC470874
0.7351	Intermediate Similarity	NPC472108
0.7351	Intermediate Similarity	NPC139291
0.733	Intermediate Similarity	NPC205934
0.733	Intermediate Similarity	NPC67056
0.733	Intermediate Similarity	NPC43787
0.733	Intermediate Similarity	NPC41257
0.7326	Intermediate Similarity	NPC187951
0.7316	Intermediate Similarity	NPC55493
0.7314	Intermediate Similarity	NPC469785
0.7308	Intermediate Similarity	NPC472586
0.7306	Intermediate Similarity	NPC72211
0.7303	Intermediate Similarity	NPC8104
0.7303	Intermediate Similarity	NPC40779
0.7302	Intermediate Similarity	NPC95783
0.7302	Intermediate Similarity	NPC106833
0.7302	Intermediate Similarity	NPC469497
0.7299	Intermediate Similarity	NPC469786
0.7299	Intermediate Similarity	NPC73952
0.7299	Intermediate Similarity	NPC469765
0.7299	Intermediate Similarity	NPC469763
0.7299	Intermediate Similarity	NPC25008
0.7299	Intermediate Similarity	NPC469760
0.7299	Intermediate Similarity	NPC259644
0.7292	Intermediate Similarity	NPC70259
0.7287	Intermediate Similarity	NPC473177
0.7283	Intermediate Similarity	NPC213468
0.7273	Intermediate Similarity	NPC286427
0.7273	Intermediate Similarity	NPC280290
0.7273	Intermediate Similarity	NPC469762
0.7268	Intermediate Similarity	NPC288785
0.726	Intermediate Similarity	NPC472762
0.7257	Intermediate Similarity	NPC211572
0.7257	Intermediate Similarity	NPC75540
0.7257	Intermediate Similarity	NPC70922
0.7257	Intermediate Similarity	NPC212376
0.7257	Intermediate Similarity	NPC80597
0.7253	Intermediate Similarity	NPC472123
0.7249	Intermediate Similarity	NPC128751
0.7233	Intermediate Similarity	NPC41174
0.7231	Intermediate Similarity	NPC79129
0.7231	Intermediate Similarity	NPC214428
0.7231	Intermediate Similarity	NPC313985
0.7231	Intermediate Similarity	NPC249150
0.7231	Intermediate Similarity	NPC49196
0.7231	Intermediate Similarity	NPC195461
0.7231	Intermediate Similarity	NPC81654
0.7222	Intermediate Similarity	NPC476106
0.7222	Intermediate Similarity	NPC470509
0.7219	Intermediate Similarity	NPC190007
0.7219	Intermediate Similarity	NPC2949
0.7216	Intermediate Similarity	NPC477041
0.7216	Intermediate Similarity	NPC477044
0.7212	Intermediate Similarity	NPC235885
0.7208	Intermediate Similarity	NPC162484
0.7207	Intermediate Similarity	NPC472587
0.72	Intermediate Similarity	NPC473181
0.7198	Intermediate Similarity	NPC469312
0.7198	Intermediate Similarity	NPC41318
0.7195	Intermediate Similarity	NPC22079
0.7194	Intermediate Similarity	NPC300183
0.7189	Intermediate Similarity	NPC176199
0.7189	Intermediate Similarity	NPC215795
0.7184	Intermediate Similarity	NPC24678
0.7184	Intermediate Similarity	NPC105818
0.7182	Intermediate Similarity	NPC317430
0.7181	Intermediate Similarity	NPC94943
0.7179	Intermediate Similarity	NPC477045
0.7178	Intermediate Similarity	NPC473180
0.7175	Intermediate Similarity	NPC299594
0.7166	Intermediate Similarity	NPC176127
0.7165	Intermediate Similarity	NPC243834
0.7165	Intermediate Similarity	NPC70956
0.7164	Intermediate Similarity	NPC199667
0.7158	Intermediate Similarity	NPC242928
0.7158	Intermediate Similarity	NPC246700
0.7157	Intermediate Similarity	NPC204491
0.7157	Intermediate Similarity	NPC203614
0.715	Intermediate Similarity	NPC131017
0.7143	Intermediate Similarity	NPC470873
0.7143	Intermediate Similarity	NPC249342
0.7143	Intermediate Similarity	NPC329747
0.7135	Intermediate Similarity	NPC92796
0.7135	Intermediate Similarity	NPC135141
0.7129	Intermediate Similarity	NPC204303
0.7128	Intermediate Similarity	NPC84478
0.7128	Intermediate Similarity	NPC50503
0.7127	Intermediate Similarity	NPC160105
0.7127	Intermediate Similarity	NPC49954
0.7127	Intermediate Similarity	NPC474561
0.7121	Intermediate Similarity	NPC98715
0.712	Intermediate Similarity	NPC329858
0.7119	Intermediate Similarity	NPC141353
0.7118	Intermediate Similarity	NPC59084
0.7111	Intermediate Similarity	NPC162799
0.7111	Intermediate Similarity	NPC271734
0.7104	Intermediate Similarity	NPC6982
0.7098	Intermediate Similarity	NPC473178
0.7097	Intermediate Similarity	NPC88363
0.7088	Intermediate Similarity	NPC63751
0.7086	Intermediate Similarity	NPC53947
0.7081	Intermediate Similarity	NPC147446
0.7079	Intermediate Similarity	NPC216643
0.7077	Intermediate Similarity	NPC232130
0.7076	Intermediate Similarity	NPC473868
0.7076	Intermediate Similarity	NPC63157
0.7074	Intermediate Similarity	NPC212535

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC6093 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	268
0.1-0.2	608
0.2-0.3	752
0.3-0.4	1561
0.4-0.5	3384
0.5-0.6	1984
0.6-0.7	558
0.7-0.8	46
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
0.7692	Intermediate Similarity	NPD3833	Phase 3
0.7692	Intermediate Similarity	NPD3835	Phase 3
0.7634	Intermediate Similarity	NPD5912	Clinical (unspecified phase)
0.7634	Intermediate Similarity	NPD5913	Phase 3
0.7557	Intermediate Similarity	NPD5744	Clinical (unspecified phase)
0.7384	Intermediate Similarity	NPD4463	Approved
0.7384	Intermediate Similarity	NPD4462	Approved
0.7337	Intermediate Similarity	NPD8464	Clinical (unspecified phase)
0.7294	Intermediate Similarity	NPD5254	Discontinued
0.7286	Intermediate Similarity	NPD2125	Clinical (unspecified phase)
0.7278	Intermediate Similarity	NPD1592	Phase 3
0.7278	Intermediate Similarity	NPD3834	Clinical (unspecified phase)
0.7254	Intermediate Similarity	NPD5003	Discontinued
0.7238	Intermediate Similarity	NPD1326	Approved
0.7238	Intermediate Similarity	NPD1325	Approved
0.7231	Intermediate Similarity	NPD4600	Approved
0.7231	Intermediate Similarity	NPD4601	Approved
0.7229	Intermediate Similarity	NPD4880	Discontinued
0.7219	Intermediate Similarity	NPD3943	Clinical (unspecified phase)
0.7179	Intermediate Similarity	NPD4118	Clinical (unspecified phase)
0.7173	Intermediate Similarity	NPD6630	Clinical (unspecified phase)
0.7151	Intermediate Similarity	NPD972	Clinical (unspecified phase)
0.715	Intermediate Similarity	NPD7947	Clinical (unspecified phase)
0.7105	Intermediate Similarity	NPD8431	Approved
0.709	Intermediate Similarity	NPD7424	Clinical (unspecified phase)
0.7086	Intermediate Similarity	NPD2172	Phase 1
0.7065	Intermediate Similarity	NPD4112	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD6595	Phase 3
0.705	Intermediate Similarity	NPD7957	Phase 1
0.705	Intermediate Similarity	NPD7958	Clinical (unspecified phase)
0.705	Intermediate Similarity	NPD8403	Phase 1
0.7049	Intermediate Similarity	NPD7474	Suspended
0.7043	Intermediate Similarity	NPD2144	Approved
0.7043	Intermediate Similarity	NPD6203	Clinical (unspecified phase)
0.7041	Intermediate Similarity	NPD1262	Discovery
0.7035	Intermediate Similarity	NPD6176	Phase 1
0.7031	Intermediate Similarity	NPD4499	Approved
0.7027	Intermediate Similarity	NPD5065	Approved
0.7021	Intermediate Similarity	NPD3038	Discontinued
0.7017	Intermediate Similarity	NPD3323	Discontinued
0.7017	Intermediate Similarity	NPD6635	Approved
0.7005	Intermediate Similarity	NPD4079	Approved
0.7005	Intermediate Similarity	NPD8386	Phase 2
0.7005	Intermediate Similarity	NPD4076	Approved
0.7005	Intermediate Similarity	NPD6555	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD6610	Clinical (unspecified phase)
0.6995	Remote Similarity	NPD5069	Clinical (unspecified phase)
0.6984	Remote Similarity	NPD5596	Phase 2
0.6974	Remote Similarity	NPD3324	Clinical (unspecified phase)
0.6973	Remote Similarity	NPD7418	Discontinued
0.6957	Remote Similarity	NPD4184	Clinical (unspecified phase)
0.6952	Remote Similarity	NPD3506	Approved
0.6952	Remote Similarity	NPD3505	Approved
0.6952	Remote Similarity	NPD6995	Phase 1
0.6949	Remote Similarity	NPD6158	Phase 2
0.6949	Remote Similarity	NPD6476	Clinical (unspecified phase)
0.6943	Remote Similarity	NPD6281	Approved
0.6943	Remote Similarity	NPD2565	Phase 2
0.6943	Remote Similarity	NPD2564	Approved
0.6927	Remote Similarity	NPD6026	Approved
0.6927	Remote Similarity	NPD2580	Discontinued
0.6923	Remote Similarity	NPD1304	Clinical (unspecified phase)
0.6919	Remote Similarity	NPD3825	Phase 3
0.6915	Remote Similarity	NPD3417	Phase 1
0.6902	Remote Similarity	NPD5021	Discontinued
0.6898	Remote Similarity	NPD2380	Approved
0.6898	Remote Similarity	NPD2381	Approved
0.6898	Remote Similarity	NPD2382	Approved
0.6898	Remote Similarity	NPD6375	Clinical (unspecified phase)
0.6895	Remote Similarity	NPD5522	Clinical (unspecified phase)
0.6884	Remote Similarity	NPD4501	Approved
0.6884	Remote Similarity	NPD4500	Approved
0.6881	Remote Similarity	NPD3003	Approved
0.6879	Remote Similarity	NPD1722	Approved
0.686	Remote Similarity	NPD786	Approved
0.685	Remote Similarity	NPD4511	Phase 1
0.6839	Remote Similarity	NPD4637	Clinical (unspecified phase)
0.6837	Remote Similarity	NPD1038	Approved
0.6836	Remote Similarity	NPD3100	Discontinued
0.6836	Remote Similarity	NPD4374	Clinical (unspecified phase)
0.6834	Remote Similarity	NPD8395	Approved
0.6834	Remote Similarity	NPD8396	Approved
0.6831	Remote Similarity	NPD5138	Approved
0.6831	Remote Similarity	NPD5140	Approved
0.6828	Remote Similarity	NPD6739	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD7948	Phase 1
0.6814	Remote Similarity	NPD2510	Approved
0.6814	Remote Similarity	NPD2509	Approved
0.6814	Remote Similarity	NPD5658	Approved
0.6811	Remote Similarity	NPD2844	Phase 3
0.6809	Remote Similarity	NPD4075	Phase 2
0.6806	Remote Similarity	NPD7688	Phase 1
0.6798	Remote Similarity	NPD4862	Clinical (unspecified phase)
0.6796	Remote Similarity	NPD7470	Discontinued
0.6794	Remote Similarity	NPD5164	Discontinued
0.6784	Remote Similarity	NPD198	Clinical (unspecified phase)
0.6779	Remote Similarity	NPD5903	Approved
0.6779	Remote Similarity	NPD5902	Approved
0.6779	Remote Similarity	NPD8112	Clinical (unspecified phase)
0.6772	Remote Similarity	NPD4181	Approved
0.6771	Remote Similarity	NPD5083	Clinical (unspecified phase)
0.6765	Remote Similarity	NPD3385	Approved
0.676	Remote Similarity	NPD2882	Phase 1
0.6758	Remote Similarity	NPD1554	Clinical (unspecified phase)
0.6753	Remote Similarity	NPD6141	Clinical (unspecified phase)
0.6751	Remote Similarity	NPD5575	Clinical (unspecified phase)
0.675	Remote Similarity	NPD6661	Clinical (unspecified phase)
0.6738	Remote Similarity	NPD3610	Approved
0.6738	Remote Similarity	NPD3609	Approved
0.6736	Remote Similarity	NPD6344	Clinical (unspecified phase)
0.6735	Remote Similarity	NPD7709	Discontinued
0.6731	Remote Similarity	NPD7276	Approved
0.6731	Remote Similarity	NPD7277	Approved
0.6723	Remote Similarity	NPD1528	Clinical (unspecified phase)
0.6723	Remote Similarity	NPD1683	Approved
0.672	Remote Similarity	NPD5104	Approved
0.6719	Remote Similarity	NPD5728	Clinical (unspecified phase)
0.6718	Remote Similarity	NPD8110	Clinical (unspecified phase)
0.6717	Remote Similarity	NPD6491	Clinical (unspecified phase)
0.6716	Remote Similarity	NPD6479	Discontinued
0.6715	Remote Similarity	NPD5066	Phase 2
0.6715	Remote Similarity	NPD5939	Approved
0.6715	Remote Similarity	NPD5067	Phase 2
0.6715	Remote Similarity	NPD5936	Approved
0.6715	Remote Similarity	NPD6220	Phase 3
0.6702	Remote Similarity	NPD5473	Discontinued
0.6701	Remote Similarity	NPD6619	Phase 3
0.67	Remote Similarity	NPD2920	Discontinued
0.6699	Remote Similarity	NPD7707	Approved
0.6683	Remote Similarity	NPD8322	Phase 2
0.6683	Remote Similarity	NPD6449	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD1768	Approved
0.6667	Remote Similarity	NPD3486	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD4128	Approved
0.665	Remote Similarity	NPD8423	Phase 2
0.665	Remote Similarity	NPD8399	Phase 1
0.6648	Remote Similarity	NPD3525	Discontinued
0.6636	Remote Similarity	NPD6160	Clinical (unspecified phase)
0.6634	Remote Similarity	NPD6150	Discontinued
0.6633	Remote Similarity	NPD7233	Approved
0.6633	Remote Similarity	NPD7234	Approved
0.6633	Remote Similarity	NPD6251	Discontinued
0.6631	Remote Similarity	NPD4779	Clinical (unspecified phase)
0.6631	Remote Similarity	NPD4638	Approved
0.6631	Remote Similarity	NPD4639	Approved
0.6631	Remote Similarity	NPD4640	Approved
0.663	Remote Similarity	NPD2837	Discontinued
0.6627	Remote Similarity	NPD3654	Approved
0.6623	Remote Similarity	NPD6503	Clinical (unspecified phase)
0.662	Remote Similarity	NPD7678	Clinical (unspecified phase)
0.6613	Remote Similarity	NPD4550	Clinical (unspecified phase)
0.6613	Remote Similarity	NPD2915	Discontinued
0.6612	Remote Similarity	NPD2582	Approved
0.6612	Remote Similarity	NPD4670	Clinical (unspecified phase)
0.6612	Remote Similarity	NPD4671	Clinical (unspecified phase)
0.6612	Remote Similarity	NPD2581	Approved
0.6612	Remote Similarity	NPD4669	Clinical (unspecified phase)
0.6602	Remote Similarity	NPD7453	Approved
0.6602	Remote Similarity	NPD7222	Phase 2
0.6602	Remote Similarity	NPD5429	Discontinued
0.6602	Remote Similarity	NPD7452	Approved
0.66	Remote Similarity	NPD6550	Discontinued
0.66	Remote Similarity	NPD5512	Phase 3
0.6595	Remote Similarity	NPD1684	Approved
0.6595	Remote Similarity	NPD1685	Approved
0.6588	Remote Similarity	NPD3394	Approved
0.6588	Remote Similarity	NPD3393	Approved
0.6588	Remote Similarity	NPD3389	Approved
0.6588	Remote Similarity	NPD5612	Discontinued
0.6585	Remote Similarity	NPD8283	Approved
0.6585	Remote Similarity	NPD56	Approved
0.6585	Remote Similarity	NPD8282	Approved
0.6579	Remote Similarity	NPD6492	Phase 2
0.6578	Remote Similarity	NPD2639	Approved
0.6578	Remote Similarity	NPD2642	Approved
0.6574	Remote Similarity	NPD6976	Clinical (unspecified phase)
0.6569	Remote Similarity	NPD5721	Clinical (unspecified phase)
0.6562	Remote Similarity	NPD3920	Phase 2
0.655	Remote Similarity	NPD1251	Discontinued
0.655	Remote Similarity	NPD3791	Clinical (unspecified phase)
0.655	Remote Similarity	NPD4418	Discontinued
0.655	Remote Similarity	NPD6590	Discontinued
0.6545	Remote Similarity	NPD749	Clinical (unspecified phase)
0.6543	Remote Similarity	NPD2641	Approved
0.6543	Remote Similarity	NPD2640	Approved
0.6543	Remote Similarity	NPD2185	Clinical (unspecified phase)
0.6538	Remote Similarity	NPD4506	Discontinued
0.6537	Remote Similarity	NPD8072	Approved
0.6537	Remote Similarity	NPD2121	Clinical (unspecified phase)
0.6535	Remote Similarity	NPD7946	Pre-registration
0.6531	Remote Similarity	NPD6217	Discontinued
0.653	Remote Similarity	NPD7824	Approved
0.6529	Remote Similarity	NPD947	Approved
0.6528	Remote Similarity	NPD5898	Approved
0.6528	Remote Similarity	NPD5899	Approved
0.6528	Remote Similarity	NPD5897	Approved
0.6526	Remote Similarity	NPD6183	Clinical (unspecified phase)
0.6526	Remote Similarity	NPD6985	Discontinued
0.6526	Remote Similarity	NPD43	Approved
0.6526	Remote Similarity	NPD6182	Approved

Structure

NPC6093 OpenBabel07101719252D 30 35 0 0 1 0 0 0 0 0999 V2000 6.4526 -0.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9942 0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1305 0.4021 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 -3.2627 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 0.8420 -1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9942 -0.9722 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 3.4505 -0.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4803 -0.1303 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 4.0220 -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 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 3.4505 -1.7588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 17 1 0 0 0 0 4 27 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 20 2 0 0 0 0 9 22 2 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 27 1 0 0 0 0 14 17 2 0 0 0 0 15 18 1 0 0 0 0 15 21 1 0 0 0 0 16 19 1 0 0 0 0 16 26 1 0 0 0 0 18 28 1 6 0 0 0 19 14 1 6 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 25 2 0 0 0 0 22 29 1 0 0 0 0 23 26 1 1 0 0 0 23 27 1 0 0 0 0 24 26 1 1 0 0 0 24 30 1 0 0 0 0 25 28 1 0 0 0 0 25 29 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	23643046
ChEMBL	CHEMBL1258979
ZINC

Physicochemical Properties

Molecular Weight:	403.29
ALogP:	1.9297
MLogP:	4.32
XLogP:	7.65
# Rotatable Bonds:	6
Polar Surface Area:	25.02
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	6
# Heavy Atoms:	30

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs