NPASS Natural Product

Natural Product: NPC293377

Natural Product ID:	NPC293377
Common Name:	(+)Neoclausenamide
IUPAC Name:	(3R,4S,5R)-3-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
Synonyms:	(+)-Neoclausenamide
Molecular Formula:	C18H19NO3
Standard InCHIKey:	WGYGSZOQGYRGIP-VVLHAWIVSA-N
Standard InCHI:	InChI=1S/C18H19NO3/c1-19-15(16(20)13-10-6-3-7-11-13)14(17(21)18(19)22)12-8-4-2-5-9-12/h2-11,14-17,20-21H,1H3/t14-,15+,16-,17+/m0/s1
Canonical SMILES:	O[C@H]([C@@H]1N(C)C(=O)[C@@H]([C@H]1c1ccccc1)O)c1ccccc1
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Reference
NPO23546	Clausena lansium	Species	Rutaceae	Eukaryota	Leaves	PMID[19327990]
NPO23546	Clausena lansium	Species	Rutaceae	Eukaryota		TCMID*
NPO11872	Eleutherococcus senticosus	Species	Araliaceae	Eukaryota		TCMID*

Biological Activity

Activity Type	# Activity
Others	3

Activity Type	# Activity
Others	3

Target ID	Target Type	Target Name	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified	Activity	=	-0.7	%	19327990
NPT2	Others	Unspecified	Activity	=	-29.1	%	19327990
NPT2	Others	Unspecified	Activity	=	-2.5	%	19327990

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 NPC293377 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	101
0.1-0.2	627
0.2-0.3	1659
0.3-0.4	5927
0.4-0.5	11970
0.5-0.6	9607
0.6-0.7	895
0.7-0.8	87
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	15

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC474811
1.0	High Similarity	NPC90194
1.0	High Similarity	NPC49577
1.0	High Similarity	NPC474787
1.0	High Similarity	NPC118099
1.0	High Similarity	NPC475598
1.0	High Similarity	NPC9687
1.0	High Similarity	NPC76785
1.0	High Similarity	NPC273907
1.0	High Similarity	NPC151706
1.0	High Similarity	NPC474855
1.0	High Similarity	NPC476102
1.0	High Similarity	NPC475318
1.0	High Similarity	NPC260045
1.0	High Similarity	NPC79465
0.8099	Intermediate Similarity	NPC251439
0.781	Intermediate Similarity	NPC65310
0.7692	Intermediate Similarity	NPC109580
0.7664	Intermediate Similarity	NPC285394
0.7597	Intermediate Similarity	NPC65855
0.7597	Intermediate Similarity	NPC292758
0.7591	Intermediate Similarity	NPC474082
0.7591	Intermediate Similarity	NPC175726
0.7578	Intermediate Similarity	NPC129624
0.7571	Intermediate Similarity	NPC469666
0.7534	Intermediate Similarity	NPC150712
0.7518	Intermediate Similarity	NPC84281
0.7518	Intermediate Similarity	NPC69496
0.7518	Intermediate Similarity	NPC317474
0.7518	Intermediate Similarity	NPC291027
0.7518	Intermediate Similarity	NPC213126
0.7518	Intermediate Similarity	NPC169485
0.7517	Intermediate Similarity	NPC16188
0.75	Intermediate Similarity	NPC209509
0.7383	Intermediate Similarity	NPC471680
0.7381	Intermediate Similarity	NPC228400
0.7381	Intermediate Similarity	NPC214200
0.7368	Intermediate Similarity	NPC473491
0.7361	Intermediate Similarity	NPC233910
0.7361	Intermediate Similarity	NPC245836
0.7357	Intermediate Similarity	NPC474847
0.7357	Intermediate Similarity	NPC477248
0.7357	Intermediate Similarity	NPC477249
0.7338	Intermediate Similarity	NPC6975
0.731	Intermediate Similarity	NPC248283
0.729	Intermediate Similarity	NPC476268
0.7279	Intermediate Similarity	NPC313694
0.7279	Intermediate Similarity	NPC242159
0.7273	Intermediate Similarity	NPC202198
0.7266	Intermediate Similarity	NPC252878
0.7241	Intermediate Similarity	NPC313663
0.7222	Intermediate Similarity	NPC255447
0.7214	Intermediate Similarity	NPC46427
0.7211	Intermediate Similarity	NPC471264
0.7211	Intermediate Similarity	NPC471265
0.7208	Intermediate Similarity	NPC162104
0.7194	Intermediate Similarity	NPC202521
0.7185	Intermediate Similarity	NPC33742
0.7181	Intermediate Similarity	NPC263493
0.7181	Intermediate Similarity	NPC476989
0.7181	Intermediate Similarity	NPC269398
0.7178	Intermediate Similarity	NPC89831
0.7172	Intermediate Similarity	NPC257390
0.717	Intermediate Similarity	NPC241794
0.7163	Intermediate Similarity	NPC307020
0.7162	Intermediate Similarity	NPC476133
0.7162	Intermediate Similarity	NPC178662
0.7162	Intermediate Similarity	NPC92784
0.7162	Intermediate Similarity	NPC98424
0.7162	Intermediate Similarity	NPC470884
0.7152	Intermediate Similarity	NPC5620
0.7143	Intermediate Similarity	NPC473360
0.7143	Intermediate Similarity	NPC469479
0.7134	Intermediate Similarity	NPC137627
0.7133	Intermediate Similarity	NPC161069
0.7133	Intermediate Similarity	NPC239990
0.7133	Intermediate Similarity	NPC152850
0.7133	Intermediate Similarity	NPC71933
0.7133	Intermediate Similarity	NPC89923
0.7133	Intermediate Similarity	NPC105114
0.7123	Intermediate Similarity	NPC287401
0.7122	Intermediate Similarity	NPC476990
0.7122	Intermediate Similarity	NPC200964
0.7115	Intermediate Similarity	NPC68967
0.7113	Intermediate Similarity	NPC171372
0.7097	Intermediate Similarity	NPC233702
0.7091	Intermediate Similarity	NPC136797
0.7091	Intermediate Similarity	NPC26108
0.709	Intermediate Similarity	NPC269340
0.7086	Intermediate Similarity	NPC476978
0.7083	Intermediate Similarity	NPC473322
0.708	Intermediate Similarity	NPC285926
0.708	Intermediate Similarity	NPC14672
0.708	Intermediate Similarity	NPC315276
0.7063	Intermediate Similarity	NPC136453
0.7055	Intermediate Similarity	NPC280022
0.7051	Intermediate Similarity	NPC262166
0.7051	Intermediate Similarity	NPC122590
0.7047	Intermediate Similarity	NPC316906
0.7044	Intermediate Similarity	NPC244336
0.7037	Intermediate Similarity	NPC61004
0.7034	Intermediate Similarity	NPC200589
0.7029	Intermediate Similarity	NPC470545
0.6994	Remote Similarity	NPC302597
0.6994	Remote Similarity	NPC328649
0.6988	Remote Similarity	NPC476227
0.6988	Remote Similarity	NPC471165
0.6986	Remote Similarity	NPC183722
0.6986	Remote Similarity	NPC157311
0.6986	Remote Similarity	NPC130309
0.6985	Remote Similarity	NPC35850
0.6985	Remote Similarity	NPC276949
0.6981	Remote Similarity	NPC297145
0.6981	Remote Similarity	NPC197743
0.6978	Remote Similarity	NPC470546
0.6975	Remote Similarity	NPC63931
0.697	Remote Similarity	NPC328494
0.6968	Remote Similarity	NPC129666
0.6966	Remote Similarity	NPC111428
0.6957	Remote Similarity	NPC470544
0.6951	Remote Similarity	NPC469505
0.6948	Remote Similarity	NPC329761
0.6948	Remote Similarity	NPC125852
0.6948	Remote Similarity	NPC138775
0.6948	Remote Similarity	NPC225648
0.6947	Remote Similarity	NPC150254
0.6947	Remote Similarity	NPC147000
0.6947	Remote Similarity	NPC304761
0.6947	Remote Similarity	NPC226778
0.6939	Remote Similarity	NPC8761
0.6939	Remote Similarity	NPC42423
0.6939	Remote Similarity	NPC44805
0.6933	Remote Similarity	NPC281104
0.6928	Remote Similarity	NPC315266
0.6914	Remote Similarity	NPC472117
0.6913	Remote Similarity	NPC113325
0.6913	Remote Similarity	NPC279045
0.6909	Remote Similarity	NPC475204
0.6909	Remote Similarity	NPC40234
0.6909	Remote Similarity	NPC475123
0.6908	Remote Similarity	NPC57976
0.6901	Remote Similarity	NPC26285
0.6894	Remote Similarity	NPC211551
0.689	Remote Similarity	NPC294516
0.689	Remote Similarity	NPC107938
0.6886	Remote Similarity	NPC477462
0.6886	Remote Similarity	NPC155506
0.6886	Remote Similarity	NPC159767
0.6883	Remote Similarity	NPC314358
0.6883	Remote Similarity	NPC262077
0.6879	Remote Similarity	NPC190663
0.6875	Remote Similarity	NPC474479
0.6875	Remote Similarity	NPC47667
0.6871	Remote Similarity	NPC120251
0.6867	Remote Similarity	NPC208725
0.6864	Remote Similarity	NPC119652
0.6864	Remote Similarity	NPC97526
0.6859	Remote Similarity	NPC2501
0.6857	Remote Similarity	NPC220698
0.6855	Remote Similarity	NPC244509
0.6849	Remote Similarity	NPC116057
0.6849	Remote Similarity	NPC81092
0.6849	Remote Similarity	NPC103605
0.6849	Remote Similarity	NPC71271
0.6849	Remote Similarity	NPC17374
0.6846	Remote Similarity	NPC228511
0.6842	Remote Similarity	NPC45033
0.6839	Remote Similarity	NPC145113
0.6838	Remote Similarity	NPC314550
0.6835	Remote Similarity	NPC56685
0.6831	Remote Similarity	NPC71684
0.6829	Remote Similarity	NPC254700
0.6826	Remote Similarity	NPC306804
0.6818	Remote Similarity	NPC313867
0.6818	Remote Similarity	NPC316008
0.6815	Remote Similarity	NPC475168
0.6815	Remote Similarity	NPC7817
0.6797	Remote Similarity	NPC139326
0.6795	Remote Similarity	NPC471821
0.6795	Remote Similarity	NPC246412
0.6795	Remote Similarity	NPC105717
0.6795	Remote Similarity	NPC471820
0.6795	Remote Similarity	NPC240848
0.6794	Remote Similarity	NPC327226
0.6788	Remote Similarity	NPC141957
0.6786	Remote Similarity	NPC279871
0.6783	Remote Similarity	NPC160493
0.6781	Remote Similarity	NPC319766
0.6781	Remote Similarity	NPC305717
0.6776	Remote Similarity	NPC239762
0.6776	Remote Similarity	NPC163392
0.6774	Remote Similarity	NPC297322
0.6765	Remote Similarity	NPC475421
0.6763	Remote Similarity	NPC188010
0.6761	Remote Similarity	NPC80150
0.6759	Remote Similarity	NPC472414
0.6759	Remote Similarity	NPC4974
0.6755	Remote Similarity	NPC175870
0.6755	Remote Similarity	NPC127741
0.6753	Remote Similarity	NPC52748

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC293377 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	109
0.1-0.2	387
0.2-0.3	733
0.3-0.4	1416
0.4-0.5	3058
0.5-0.6	2597
0.6-0.7	718
0.7-0.8	139
0.8-0.85	4
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8235	Intermediate Similarity	NPD4497	Clinical (unspecified phase)
0.8175	Intermediate Similarity	NPD4619	Approved
0.8175	Intermediate Similarity	NPD4621	Approved
0.8027	Intermediate Similarity	NPD7613	Discontinued
0.7986	Intermediate Similarity	NPD7086	Phase 2
0.7956	Intermediate Similarity	NPD5204	Approved
0.781	Intermediate Similarity	NPD2160	Approved
0.781	Intermediate Similarity	NPD2628	Approved
0.781	Intermediate Similarity	NPD2626	Approved
0.781	Intermediate Similarity	NPD2159	Approved
0.781	Intermediate Similarity	NPD2625	Approved
0.781	Intermediate Similarity	NPD2627	Approved
0.7737	Intermediate Similarity	NPD6792	Phase 3
0.7698	Intermediate Similarity	NPD3664	Approved
0.7698	Intermediate Similarity	NPD3662	Phase 3
0.7698	Intermediate Similarity	NPD3663	Approved
0.7698	Intermediate Similarity	NPD3661	Approved
0.7687	Intermediate Similarity	NPD6676	Phase 2
0.7676	Intermediate Similarity	NPD6309	Approved
0.7676	Intermediate Similarity	NPD6311	Approved
0.7676	Intermediate Similarity	NPD6310	Approved
0.7664	Intermediate Similarity	NPD5158	Clinical (unspecified phase)
0.7664	Intermediate Similarity	NPD5159	Phase 2
0.7664	Intermediate Similarity	NPD5157	Phase 1
0.7643	Intermediate Similarity	NPD5202	Clinical (unspecified phase)
0.7597	Intermediate Similarity	NPD7011	Discontinued
0.7569	Intermediate Similarity	NPD6817	Clinical (unspecified phase)
0.7568	Intermediate Similarity	NPD2575	Approved
0.7518	Intermediate Similarity	NPD2611	Approved
0.7518	Intermediate Similarity	NPD2608	Approved
0.7518	Intermediate Similarity	NPD2610	Approved
0.7518	Intermediate Similarity	NPD5203	Approved
0.7518	Intermediate Similarity	NPD4218	Approved
0.7518	Intermediate Similarity	NPD4620	Approved
0.7518	Intermediate Similarity	NPD4215	Approved
0.7518	Intermediate Similarity	NPD4217	Approved
0.7518	Intermediate Similarity	NPD2613	Approved
0.7518	Intermediate Similarity	NPD3132	Approved
0.7518	Intermediate Similarity	NPD2609	Approved
0.7518	Intermediate Similarity	NPD2612	Approved
0.7518	Intermediate Similarity	NPD3131	Approved
0.7518	Intermediate Similarity	NPD4617	Approved
0.7518	Intermediate Similarity	NPD5201	Approved
0.7518	Intermediate Similarity	NPD4216	Approved
0.75	Intermediate Similarity	NPD6860	Clinical (unspecified phase)
0.7463	Intermediate Similarity	NPD6775	Clinical (unspecified phase)
0.746	Intermediate Similarity	NPD854	Approved
0.746	Intermediate Similarity	NPD855	Approved
0.7448	Intermediate Similarity	NPD8172	Phase 2
0.7448	Intermediate Similarity	NPD8173	Phase 2
0.7445	Intermediate Similarity	NPD4136	Approved
0.7445	Intermediate Similarity	NPD4106	Approved
0.7445	Intermediate Similarity	NPD4135	Approved
0.7431	Intermediate Similarity	NPD5121	Approved
0.7431	Intermediate Similarity	NPD5120	Approved
0.7431	Intermediate Similarity	NPD5119	Approved
0.7417	Intermediate Similarity	NPD8165	Discontinued
0.7402	Intermediate Similarity	NPD3680	Approved
0.7402	Intermediate Similarity	NPD3682	Approved
0.7391	Intermediate Similarity	NPD4806	Approved
0.7391	Intermediate Similarity	NPD4807	Approved
0.7368	Intermediate Similarity	NPD3598	Phase 3
0.7361	Intermediate Similarity	NPD3615	Approved
0.7361	Intermediate Similarity	NPD3614	Approved
0.7361	Intermediate Similarity	NPD3088	Approved
0.7361	Intermediate Similarity	NPD3087	Approved
0.7361	Intermediate Similarity	NPD3090	Approved
0.7361	Intermediate Similarity	NPD4746	Phase 3
0.7361	Intermediate Similarity	NPD2570	Approved
0.7361	Intermediate Similarity	NPD2574	Discontinued
0.7361	Intermediate Similarity	NPD4745	Approved
0.7361	Intermediate Similarity	NPD2566	Approved
0.7361	Intermediate Similarity	NPD2572	Clinical (unspecified phase)
0.7361	Intermediate Similarity	NPD2573	Approved
0.7361	Intermediate Similarity	NPD2571	Approved
0.7361	Intermediate Similarity	NPD3089	Approved
0.7361	Intermediate Similarity	NPD3616	Approved
0.7333	Intermediate Similarity	NPD3123	Discovery
0.7329	Intermediate Similarity	NPD3528	Clinical (unspecified phase)
0.7324	Intermediate Similarity	NPD5759	Approved
0.7313	Intermediate Similarity	NPD1711	Phase 2
0.7308	Intermediate Similarity	NPD7118	Clinical (unspecified phase)
0.7308	Intermediate Similarity	NPD4095	Clinical (unspecified phase)
0.7299	Intermediate Similarity	NPD4102	Approved
0.7299	Intermediate Similarity	NPD4105	Approved
0.726	Intermediate Similarity	NPD4685	Phase 3
0.726	Intermediate Similarity	NPD7113	Clinical (unspecified phase)
0.726	Intermediate Similarity	NPD4684	Phase 3
0.726	Intermediate Similarity	NPD4686	Approved
0.7246	Intermediate Similarity	NPD5305	Approved
0.7246	Intermediate Similarity	NPD5306	Approved
0.7241	Intermediate Similarity	NPD7714	Approved
0.7241	Intermediate Similarity	NPD7715	Approved
0.7226	Intermediate Similarity	NPD2227	Clinical (unspecified phase)
0.7226	Intermediate Similarity	NPD6345	Approved
0.7226	Intermediate Similarity	NPD6343	Approved
0.7219	Intermediate Similarity	NPD7488	Clinical (unspecified phase)
0.7188	Intermediate Similarity	NPD4817	Approved
0.7188	Intermediate Similarity	NPD4818	Approved
0.7183	Intermediate Similarity	NPD4104	Clinical (unspecified phase)
0.7183	Intermediate Similarity	NPD4103	Phase 2
0.7181	Intermediate Similarity	NPD7511	Approved
0.7181	Intermediate Similarity	NPD7512	Approved
0.7178	Intermediate Similarity	NPD5137	Approved
0.7174	Intermediate Similarity	NPD1710	Approved
0.7171	Intermediate Similarity	NPD7910	Clinical (unspecified phase)
0.7163	Intermediate Similarity	NPD4659	Approved
0.7153	Intermediate Similarity	NPD5991	Approved
0.7153	Intermediate Similarity	NPD5990	Approved
0.7153	Intermediate Similarity	NPD5263	Approved
0.7143	Intermediate Similarity	NPD4025	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD5338	Clinical (unspecified phase)
0.7113	Intermediate Similarity	NPD5667	Approved
0.7095	Intermediate Similarity	NPD6073	Approved
0.7092	Intermediate Similarity	NPD3072	Approved
0.7092	Intermediate Similarity	NPD3073	Approved
0.7092	Intermediate Similarity	NPD2584	Suspended
0.7092	Intermediate Similarity	NPD3071	Approved
0.709	Intermediate Similarity	NPD4572	Approved
0.709	Intermediate Similarity	NPD4573	Approved
0.709	Intermediate Similarity	NPD4571	Approved
0.7083	Intermediate Similarity	NPD4175	Approved
0.7083	Intermediate Similarity	NPD4177	Approved
0.708	Intermediate Similarity	NPD4574	Approved
0.708	Intermediate Similarity	NPD4576	Approved
0.7066	Intermediate Similarity	NPD7695	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD8323	Discontinued
0.7054	Intermediate Similarity	NPD4719	Phase 2
0.7047	Intermediate Similarity	NPD7231	Approved
0.7047	Intermediate Similarity	NPD7230	Approved
0.7042	Intermediate Similarity	NPD1755	Approved
0.7027	Intermediate Similarity	NPD8643	Discontinued
0.7025	Intermediate Similarity	NPD8417	Discontinued
0.7021	Intermediate Similarity	NPD4761	Approved
0.7021	Intermediate Similarity	NPD4762	Approved
0.7015	Intermediate Similarity	NPD4254	Approved
0.7015	Intermediate Similarity	NPD4253	Approved
0.7014	Intermediate Similarity	NPD5339	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD4229	Approved
0.7	Intermediate Similarity	NPD7725	Approved
0.7	Intermediate Similarity	NPD3681	Approved
0.7	Intermediate Similarity	NPD3683	Approved
0.7	Intermediate Similarity	NPD4231	Approved
0.6993	Remote Similarity	NPD3125	Approved
0.698	Remote Similarity	NPD7510	Approved
0.6959	Remote Similarity	NPD8416	Discontinued
0.6954	Remote Similarity	NPD6897	Clinical (unspecified phase)
0.6954	Remote Similarity	NPD7939	Discontinued
0.6947	Remote Similarity	NPD311	Approved
0.6947	Remote Similarity	NPD310	Approved
0.6947	Remote Similarity	NPD10	Approved
0.6947	Remote Similarity	NPD309	Approved
0.6947	Remote Similarity	NPD315	Approved
0.6947	Remote Similarity	NPD314	Approved
0.6939	Remote Similarity	NPD1330	Phase 2
0.6939	Remote Similarity	NPD1329	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD2567	Approved
0.6933	Remote Similarity	NPD2569	Approved
0.6923	Remote Similarity	NPD8389	Clinical (unspecified phase)
0.6918	Remote Similarity	NPD4125	Approved
0.6918	Remote Similarity	NPD4676	Approved
0.6906	Remote Similarity	NPD2117	Pre-registration
0.6906	Remote Similarity	NPD2116	Approved
0.6906	Remote Similarity	NPD6065	Approved
0.6906	Remote Similarity	NPD2115	Approved
0.6901	Remote Similarity	NPD3529	Phase 2
0.6901	Remote Similarity	NPD5350	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD4706	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD5351	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD2173	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD4980	Approved
0.689	Remote Similarity	NPD5823	Approved
0.6879	Remote Similarity	NPD5723	Approved
0.6879	Remote Similarity	NPD5238	Clinical (unspecified phase)
0.6871	Remote Similarity	NPD6039	Approved
0.6871	Remote Similarity	NPD4794	Discontinued
0.687	Remote Similarity	NPD4658	Approved
0.687	Remote Similarity	NPD4656	Approved
0.6867	Remote Similarity	NPD5725	Approved
0.6866	Remote Similarity	NPD4720	Approved
0.6866	Remote Similarity	NPD4718	Approved
0.6866	Remote Similarity	NPD4717	Approved
0.6861	Remote Similarity	NPD2229	Approved
0.6861	Remote Similarity	NPD2234	Approved
0.6861	Remote Similarity	NPD2228	Approved
0.6857	Remote Similarity	NPD2994	Approved
0.6857	Remote Similarity	NPD5303	Approved
0.6857	Remote Similarity	NPD5304	Approved
0.6855	Remote Similarity	NPD6591	Clinical (unspecified phase)
0.6853	Remote Similarity	NPD5108	Clinical (unspecified phase)
0.6853	Remote Similarity	NPD2562	Approved
0.6853	Remote Similarity	NPD2561	Approved
0.6846	Remote Similarity	NPD6623	Phase 3
0.6842	Remote Similarity	NPD7130	Phase 3
0.6835	Remote Similarity	NPD7131	Phase 3
0.6832	Remote Similarity	NPD3589	Clinical (unspecified phase)
0.6822	Remote Similarity	NPD466	Approved
0.6815	Remote Similarity	NPD5235	Approved
0.6815	Remote Similarity	NPD5239	Approved
0.6815	Remote Similarity	NPD5240	Approved

Structure

CID293377 OpenBabel06191716102D 22 24 0 0 1 0 0 0 0 0999 V2000 -0.9945 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1808 -1.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 -2.6483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3147 -2.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1808 -0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 -1.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6488 -3.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4487 -1.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3147 -0.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 -1.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6977 -3.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4487 -0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4898 -2.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5827 -0.3364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6691 -0.7431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4612 -1.7213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4781 0.6581 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2044 -2.3904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2213 1.3272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0933 1.7796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 11 13 1 0 0 0 0 13 16 1 0 0 0 0 14 12 1 1 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 6 0 0 0 15 19 1 0 0 0 0 16 20 1 1 0 0 0 17 18 1 0 0 0 0 17 21 1 6 0 0 0 18 19 1 0 0 0 0 18 22 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	10149519
ChEMBL	CHEMBL507740
ZINC

Physicochemical Properties

Molecular Weight:	297.14
ALogP:	-2.0171
MLogP:	3
XLogP:	4.972
# Rotatable Bonds:	6
Polar Surface Area:	60.77
# H-Bond Aceptor:	4
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	22

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