NPASS Natural Product

Natural Product: NPC87985

Natural Product ID:	NPC87985
Common Name:	Trogopteroid E
IUPAC Name:	(4aS,10R,10aR)-7,10-dihydroxy-1,1,4a-trimethyl-8-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
Synonyms:	Trogopteroid E
Molecular Formula:	C20H28O3
Standard InCHIKey:	SYBCSWBINLAVDP-MOXGXCLJSA-N
Standard InCHI:	InChI=1S/C20H28O3/c1-11(2)17-12-10-15(22)18-19(3,4)16(23)8-9-20(18,5)13(12)6-7-14(17)21/h6-7,11,15,18,21-22H,8-10H2,1-5H3/t15-,18+,20-/m1/s1
Canonical SMILES:	CC(c1c(O)ccc2c1C[C@@H](O)[C@@H]1[C@]2(C)CCC(=O)C1(C)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
NPO882	Trogopterus xanthipes	Species	Sciuridae	Eukaryota	Faeces			PMID[20402524]

Biological Activity

Activity Type	# Activity
IC50	4

Activity Type	# Activity
Cell Line	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT116	Cell Line	HL-60	Homo sapiens	IC50	>	40000	nM	3755758
NPT15	Cell Line	Jurkat	Homo sapiens	IC50	>	40000	nM	DrugMatrix in vivo data: Hematology
NPT466	Cell Line	U-937	Homo sapiens	IC50	>	40000	nM	17544281
NPT65	Cell Line	HepG2	Homo sapiens	IC50	>	40000	nM	21846091

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 NPC87985 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	191
0.1-0.2	939
0.2-0.3	1719
0.3-0.4	3866
0.4-0.5	7331
0.5-0.6	6055
0.6-0.7	8229
0.7-0.8	2320
0.8-0.85	176
0.85-0.9	51
0.9-0.95	10
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9583	High Similarity	NPC181334
0.95	High Similarity	NPC198014
0.9339	High Similarity	NPC471187
0.9333	High Similarity	NPC253627
0.916	High Similarity	NPC469609
0.9113	High Similarity	NPC71610
0.9098	High Similarity	NPC11250
0.9091	High Similarity	NPC259703
0.9091	High Similarity	NPC32322
0.9068	High Similarity	NPC147179
0.9055	High Similarity	NPC476847
0.9	High Similarity	NPC471671
0.8992	High Similarity	NPC219112
0.8992	High Similarity	NPC308828
0.8983	High Similarity	NPC268160
0.8943	High Similarity	NPC176208
0.8926	High Similarity	NPC469644
0.8917	High Similarity	NPC172219
0.8917	High Similarity	NPC304510
0.8889	High Similarity	NPC262936
0.8889	High Similarity	NPC30491
0.888	High Similarity	NPC137750
0.8862	High Similarity	NPC162935
0.8862	High Similarity	NPC154696
0.8862	High Similarity	NPC249340
0.8852	High Similarity	NPC318552
0.8852	High Similarity	NPC190501
0.8837	High Similarity	NPC165612
0.8833	High Similarity	NPC38893
0.8833	High Similarity	NPC477137
0.8833	High Similarity	NPC308311
0.879	High Similarity	NPC121168
0.879	High Similarity	NPC471794
0.878	High Similarity	NPC241001
0.877	High Similarity	NPC42657
0.8769	High Similarity	NPC78307
0.876	High Similarity	NPC471851
0.876	High Similarity	NPC477136
0.875	High Similarity	NPC192948
0.875	High Similarity	NPC35797
0.8702	High Similarity	NPC202225
0.8689	High Similarity	NPC154030
0.8678	High Similarity	NPC469663
0.8678	High Similarity	NPC92
0.8647	High Similarity	NPC475957
0.8644	High Similarity	NPC141782
0.8636	High Similarity	NPC103082
0.8629	High Similarity	NPC328504
0.8626	High Similarity	NPC49742
0.8605	High Similarity	NPC276238
0.8594	High Similarity	NPC69424
0.8594	High Similarity	NPC84672
0.8594	High Similarity	NPC176130
0.8594	High Similarity	NPC78364
0.856	High Similarity	NPC31936
0.8548	High Similarity	NPC260832
0.8548	High Similarity	NPC135467
0.8548	High Similarity	NPC478121
0.8538	High Similarity	NPC108129
0.8529	High Similarity	NPC272907
0.8529	High Similarity	NPC2681
0.8516	High Similarity	NPC269598
0.85	High Similarity	NPC228425
0.8485	Intermediate Similarity	NPC314048
0.8485	Intermediate Similarity	NPC477139
0.848	Intermediate Similarity	NPC164852
0.8473	Intermediate Similarity	NPC291001
0.8468	Intermediate Similarity	NPC31296
0.8468	Intermediate Similarity	NPC473974
0.8468	Intermediate Similarity	NPC258366
0.8468	Intermediate Similarity	NPC79933
0.8467	Intermediate Similarity	NPC248068
0.8462	Intermediate Similarity	NPC303910
0.8456	Intermediate Similarity	NPC471853
0.8456	Intermediate Similarity	NPC3218
0.845	Intermediate Similarity	NPC72667
0.8417	Intermediate Similarity	NPC176279
0.8417	Intermediate Similarity	NPC260323
0.8417	Intermediate Similarity	NPC471188
0.8406	Intermediate Similarity	NPC477207
0.84	Intermediate Similarity	NPC183339
0.84	Intermediate Similarity	NPC133389
0.84	Intermediate Similarity	NPC234337
0.8387	Intermediate Similarity	NPC164649
0.8387	Intermediate Similarity	NPC48342
0.8385	Intermediate Similarity	NPC3009
0.8372	Intermediate Similarity	NPC254492
0.8361	Intermediate Similarity	NPC471534
0.8361	Intermediate Similarity	NPC195922
0.8359	Intermediate Similarity	NPC15127
0.8359	Intermediate Similarity	NPC234890
0.8359	Intermediate Similarity	NPC199273
0.8359	Intermediate Similarity	NPC74507
0.8347	Intermediate Similarity	NPC250323
0.8346	Intermediate Similarity	NPC475346
0.8346	Intermediate Similarity	NPC475627
0.8346	Intermediate Similarity	NPC475457
0.8346	Intermediate Similarity	NPC18982
0.8333	Intermediate Similarity	NPC13482
0.8333	Intermediate Similarity	NPC85310
0.8321	Intermediate Similarity	NPC171460
0.8321	Intermediate Similarity	NPC206028
0.8321	Intermediate Similarity	NPC99731
0.832	Intermediate Similarity	NPC182240
0.8308	Intermediate Similarity	NPC471077
0.8306	Intermediate Similarity	NPC16030
0.8295	Intermediate Similarity	NPC127975
0.8284	Intermediate Similarity	NPC293454
0.8268	Intermediate Similarity	NPC142198
0.8268	Intermediate Similarity	NPC77569
0.8268	Intermediate Similarity	NPC293831
0.8268	Intermediate Similarity	NPC369
0.8264	Intermediate Similarity	NPC95716
0.8261	Intermediate Similarity	NPC91019
0.8261	Intermediate Similarity	NPC106519
0.8254	Intermediate Similarity	NPC473136
0.8254	Intermediate Similarity	NPC68339
0.8244	Intermediate Similarity	NPC96024
0.8244	Intermediate Similarity	NPC229894
0.8235	Intermediate Similarity	NPC228737
0.8235	Intermediate Similarity	NPC477592
0.8231	Intermediate Similarity	NPC325294
0.8231	Intermediate Similarity	NPC321822
0.8226	Intermediate Similarity	NPC474387
0.8226	Intermediate Similarity	NPC154511
0.8226	Intermediate Similarity	NPC247858
0.8226	Intermediate Similarity	NPC137496
0.8226	Intermediate Similarity	NPC141001
0.8226	Intermediate Similarity	NPC471668
0.8226	Intermediate Similarity	NPC474358
0.8226	Intermediate Similarity	NPC257540
0.8222	Intermediate Similarity	NPC283088
0.8222	Intermediate Similarity	NPC153088
0.8222	Intermediate Similarity	NPC279463
0.8217	Intermediate Similarity	NPC75432
0.8217	Intermediate Similarity	NPC68756
0.8217	Intermediate Similarity	NPC173978
0.8217	Intermediate Similarity	NPC152525
0.8214	Intermediate Similarity	NPC126707
0.8209	Intermediate Similarity	NPC476282
0.8209	Intermediate Similarity	NPC115458
0.8209	Intermediate Similarity	NPC111845
0.8203	Intermediate Similarity	NPC71094
0.8203	Intermediate Similarity	NPC478058
0.8201	Intermediate Similarity	NPC135524
0.8201	Intermediate Similarity	NPC308572
0.8201	Intermediate Similarity	NPC477209
0.8201	Intermediate Similarity	NPC474961
0.8201	Intermediate Similarity	NPC469520
0.8197	Intermediate Similarity	NPC46940
0.8197	Intermediate Similarity	NPC286222
0.8195	Intermediate Similarity	NPC72669
0.8195	Intermediate Similarity	NPC18798
0.8195	Intermediate Similarity	NPC243305
0.8195	Intermediate Similarity	NPC474517
0.8195	Intermediate Similarity	NPC93015
0.8189	Intermediate Similarity	NPC21216
0.8182	Intermediate Similarity	NPC117899
0.8182	Intermediate Similarity	NPC131684
0.8182	Intermediate Similarity	NPC132720
0.8169	Intermediate Similarity	NPC5568
0.8168	Intermediate Similarity	NPC471530
0.8167	Intermediate Similarity	NPC472982
0.8167	Intermediate Similarity	NPC11554
0.8167	Intermediate Similarity	NPC149455
0.8167	Intermediate Similarity	NPC64642
0.8154	Intermediate Similarity	NPC124030
0.8148	Intermediate Similarity	NPC213122
0.8143	Intermediate Similarity	NPC199936
0.8143	Intermediate Similarity	NPC100242
0.8143	Intermediate Similarity	NPC478164
0.8134	Intermediate Similarity	NPC70622
0.8134	Intermediate Similarity	NPC246693
0.8134	Intermediate Similarity	NPC110609
0.8134	Intermediate Similarity	NPC242358
0.813	Intermediate Similarity	NPC715
0.8129	Intermediate Similarity	NPC204045
0.8129	Intermediate Similarity	NPC305845
0.8125	Intermediate Similarity	NPC475166
0.8115	Intermediate Similarity	NPC77772
0.8115	Intermediate Similarity	NPC471189
0.8115	Intermediate Similarity	NPC151537
0.8115	Intermediate Similarity	NPC322753
0.8112	Intermediate Similarity	NPC477206
0.8106	Intermediate Similarity	NPC193203
0.8106	Intermediate Similarity	NPC48248
0.8106	Intermediate Similarity	NPC282923
0.8102	Intermediate Similarity	NPC49911
0.8102	Intermediate Similarity	NPC277559
0.8102	Intermediate Similarity	NPC305060
0.8099	Intermediate Similarity	NPC143685
0.8099	Intermediate Similarity	NPC474991
0.8095	Intermediate Similarity	NPC328694
0.8092	Intermediate Similarity	NPC3224
0.8092	Intermediate Similarity	NPC43000
0.8092	Intermediate Similarity	NPC100414
0.8088	Intermediate Similarity	NPC477596
0.8088	Intermediate Similarity	NPC472804
0.8083	Intermediate Similarity	NPC151477
0.8077	Intermediate Similarity	NPC12818

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC87985 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	213
0.1-0.2	869
0.2-0.3	1231
0.3-0.4	2412
0.4-0.5	2351
0.5-0.6	1321
0.6-0.7	651
0.7-0.8	100
0.8-0.85	11
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8852	High Similarity	NPD3019	Approved
0.8699	High Similarity	NPD2932	Approved
0.8387	Intermediate Similarity	NPD3091	Approved
0.8333	Intermediate Similarity	NPD6663	Approved
0.8308	Intermediate Similarity	NPD5736	Approved
0.8268	Intermediate Similarity	NPD3092	Approved
0.8189	Intermediate Similarity	NPD3026	Approved
0.8189	Intermediate Similarity	NPD3023	Approved
0.8175	Intermediate Similarity	NPD3025	Approved
0.8175	Intermediate Similarity	NPD3024	Approved
0.8125	Intermediate Similarity	NPD1201	Approved
0.8015	Intermediate Similarity	NPD1470	Approved
0.8015	Intermediate Similarity	NPD3094	Phase 2
0.7969	Intermediate Similarity	NPD3095	Discontinued
0.7817	Intermediate Similarity	NPD7910	Clinical (unspecified phase)
0.777	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7692	Intermediate Similarity	NPD4059	Approved
0.7655	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7643	Intermediate Similarity	NPD3299	Clinical (unspecified phase)
0.7642	Intermediate Similarity	NPD2342	Discontinued
0.7622	Intermediate Similarity	NPD8166	Discontinued
0.7619	Intermediate Similarity	NPD7635	Approved
0.7615	Intermediate Similarity	NPD1651	Approved
0.7589	Intermediate Similarity	NPD5404	Approved
0.7589	Intermediate Similarity	NPD5406	Approved
0.7589	Intermediate Similarity	NPD5405	Approved
0.7589	Intermediate Similarity	NPD5408	Approved
0.7537	Intermediate Similarity	NPD1283	Approved
0.75	Intermediate Similarity	NPD3020	Approved
0.75	Intermediate Similarity	NPD7003	Approved
0.7482	Intermediate Similarity	NPD4140	Approved
0.7481	Intermediate Similarity	NPD4196	Clinical (unspecified phase)
0.7466	Intermediate Similarity	NPD7390	Discontinued
0.7465	Intermediate Similarity	NPD6100	Approved
0.7465	Intermediate Similarity	NPD6099	Approved
0.741	Intermediate Similarity	NPD8032	Phase 2
0.7395	Intermediate Similarity	NPD1809	Phase 2
0.7385	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7381	Intermediate Similarity	NPD4750	Phase 3
0.7365	Intermediate Similarity	NPD6273	Approved
0.7357	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7357	Intermediate Similarity	NPD3620	Phase 2
0.7333	Intermediate Similarity	NPD288	Approved
0.7333	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7313	Intermediate Similarity	NPD1281	Approved
0.7311	Intermediate Similarity	NPD1432	Clinical (unspecified phase)
0.7305	Intermediate Similarity	NPD5735	Approved
0.7303	Intermediate Similarity	NPD37	Approved
0.7297	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7295	Intermediate Similarity	NPD289	Clinical (unspecified phase)
0.7293	Intermediate Similarity	NPD4626	Approved
0.7273	Intermediate Similarity	NPD7742	Approved
0.7273	Intermediate Similarity	NPD7743	Approved
0.7254	Intermediate Similarity	NPD4097	Suspended
0.725	Intermediate Similarity	NPD2859	Approved
0.725	Intermediate Similarity	NPD2860	Approved
0.725	Intermediate Similarity	NPD844	Approved
0.7244	Intermediate Similarity	NPD3022	Approved
0.7244	Intermediate Similarity	NPD3021	Approved
0.7234	Intermediate Similarity	NPD4060	Phase 1
0.7231	Intermediate Similarity	NPD2629	Approved
0.7231	Intermediate Similarity	NPD5951	Approved
0.7227	Intermediate Similarity	NPD845	Approved
0.7218	Intermediate Similarity	NPD4093	Discontinued
0.7214	Intermediate Similarity	NPD3764	Approved
0.7206	Intermediate Similarity	NPD5327	Phase 3
0.7185	Intermediate Similarity	NPD5350	Clinical (unspecified phase)
0.7185	Intermediate Similarity	NPD5351	Clinical (unspecified phase)
0.7174	Intermediate Similarity	NPD4624	Approved
0.7174	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7167	Intermediate Similarity	NPD2934	Approved
0.7167	Intermediate Similarity	NPD2933	Approved
0.7164	Intermediate Similarity	NPD3412	Clinical (unspecified phase)
0.7164	Intermediate Similarity	NPD2286	Discontinued
0.7164	Intermediate Similarity	NPD1751	Approved
0.7161	Intermediate Similarity	NPD4965	Approved
0.7161	Intermediate Similarity	NPD4967	Phase 2
0.7161	Intermediate Similarity	NPD4966	Approved
0.7154	Intermediate Similarity	NPD7159	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD3400	Discontinued
0.7132	Intermediate Similarity	NPD6124	Clinical (unspecified phase)
0.7122	Intermediate Similarity	NPD2861	Phase 2
0.7113	Intermediate Similarity	NPD2979	Phase 3
0.7105	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7105	Intermediate Similarity	NPD7458	Discontinued
0.7097	Intermediate Similarity	NPD940	Approved
0.7097	Intermediate Similarity	NPD846	Approved
0.7092	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7092	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.709	Intermediate Similarity	NPD5691	Approved
0.7089	Intermediate Similarity	NPD6959	Discontinued
0.708	Intermediate Similarity	NPD1755	Approved
0.7075	Intermediate Similarity	NPD3638	Discontinued
0.7075	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7071	Intermediate Similarity	NPD2605	Approved
0.7071	Intermediate Similarity	NPD2606	Approved
0.707	Intermediate Similarity	NPD6234	Discontinued
0.7047	Intermediate Similarity	NPD3300	Phase 2
0.704	Intermediate Similarity	NPD5700	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD5238	Clinical (unspecified phase)
0.7029	Intermediate Similarity	NPD6696	Suspended
0.7027	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD4628	Phase 3
0.7023	Intermediate Similarity	NPD4869	Clinical (unspecified phase)
0.7021	Intermediate Similarity	NPD5155	Approved
0.7021	Intermediate Similarity	NPD4625	Phase 3
0.7021	Intermediate Similarity	NPD5156	Approved
0.7019	Intermediate Similarity	NPD7473	Discontinued
0.7014	Intermediate Similarity	NPD6353	Approved
0.7	Intermediate Similarity	NPD4208	Discontinued
0.7	Intermediate Similarity	NPD3635	Approved
0.7	Intermediate Similarity	NPD3636	Approved
0.7	Intermediate Similarity	NPD3637	Approved
0.6994	Remote Similarity	NPD4956	Approved
0.6993	Remote Similarity	NPD943	Approved
0.6993	Remote Similarity	NPD3226	Approved
0.6987	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6986	Remote Similarity	NPD4477	Approved
0.6986	Remote Similarity	NPD2438	Suspended
0.6986	Remote Similarity	NPD2935	Discontinued
0.6986	Remote Similarity	NPD4476	Approved
0.6981	Remote Similarity	NPD8127	Discontinued
0.6978	Remote Similarity	NPD4339	Clinical (unspecified phase)
0.6978	Remote Similarity	NPD1164	Approved
0.6972	Remote Similarity	NPD6798	Discontinued
0.6959	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.6954	Remote Similarity	NPD4160	Clinical (unspecified phase)
0.695	Remote Similarity	NPD3595	Approved
0.695	Remote Similarity	NPD3594	Approved
0.695	Remote Similarity	NPD4908	Phase 1
0.6944	Remote Similarity	NPD6355	Discontinued
0.6939	Remote Similarity	NPD2346	Discontinued
0.6939	Remote Similarity	NPD5763	Approved
0.6939	Remote Similarity	NPD4725	Approved
0.6939	Remote Similarity	NPD4721	Approved
0.6939	Remote Similarity	NPD4726	Approved
0.6939	Remote Similarity	NPD5762	Approved
0.6937	Remote Similarity	NPD6232	Discontinued
0.6929	Remote Similarity	NPD2194	Approved
0.6929	Remote Similarity	NPD2195	Approved
0.6923	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD7819	Suspended
0.6918	Remote Similarity	NPD2799	Discontinued
0.6917	Remote Similarity	NPD3317	Approved
0.6913	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6913	Remote Similarity	NPD4110	Phase 3
0.6912	Remote Similarity	NPD7163	Clinical (unspecified phase)
0.6912	Remote Similarity	NPD4589	Approved
0.6912	Remote Similarity	NPD1778	Approved
0.6909	Remote Similarity	NPD5039	Approved
0.6901	Remote Similarity	NPD7008	Discontinued
0.6889	Remote Similarity	NPD7741	Discontinued
0.6884	Remote Similarity	NPD1608	Approved
0.6884	Remote Similarity	NPD3972	Approved
0.688	Remote Similarity	NPD1242	Phase 1
0.6871	Remote Similarity	NPD2531	Phase 2
0.6871	Remote Similarity	NPD7228	Approved
0.6867	Remote Similarity	NPD6190	Approved
0.6866	Remote Similarity	NPD7325	Clinical (unspecified phase)
0.6857	Remote Similarity	NPD2797	Approved
0.6846	Remote Similarity	NPD1792	Phase 2
0.6842	Remote Similarity	NPD2532	Approved
0.6842	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD2534	Approved
0.6842	Remote Similarity	NPD2533	Approved
0.6839	Remote Similarity	NPD4380	Phase 2
0.6835	Remote Similarity	NPD4659	Approved
0.6832	Remote Similarity	NPD7229	Phase 3
0.6829	Remote Similarity	NPD5844	Phase 1
0.6824	Remote Similarity	NPD6002	Phase 3
0.6824	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6824	Remote Similarity	NPD6005	Phase 3
0.6824	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6824	Remote Similarity	NPD6004	Phase 3
0.6812	Remote Similarity	NPD1610	Phase 2
0.6809	Remote Similarity	NPD2798	Approved
0.6803	Remote Similarity	NPD1510	Phase 2
0.6803	Remote Similarity	NPD651	Clinical (unspecified phase)
0.68	Remote Similarity	NPD3750	Approved
0.6794	Remote Similarity	NPD4141	Clinical (unspecified phase)
0.6786	Remote Similarity	NPD8651	Approved
0.6786	Remote Similarity	NPD1876	Approved
0.6783	Remote Similarity	NPD5952	Clinical (unspecified phase)
0.6783	Remote Similarity	NPD7095	Approved
0.6781	Remote Similarity	NPD1607	Approved
0.6779	Remote Similarity	NPD970	Clinical (unspecified phase)
0.6776	Remote Similarity	NPD7040	Clinical (unspecified phase)
0.6776	Remote Similarity	NPD7041	Phase 2
0.6767	Remote Similarity	NPD2229	Approved
0.6767	Remote Similarity	NPD2234	Approved
0.6767	Remote Similarity	NPD2228	Approved
0.6765	Remote Similarity	NPD5303	Approved
0.6765	Remote Similarity	NPD5304	Approved
0.6765	Remote Similarity	NPD9545	Approved
0.6759	Remote Similarity	NPD2238	Phase 2
0.6759	Remote Similarity	NPD1240	Approved
0.6753	Remote Similarity	NPD7427	Discontinued
0.6738	Remote Similarity	NPD4103	Phase 2
0.6738	Remote Similarity	NPD4104	Clinical (unspecified phase)
0.6736	Remote Similarity	NPD1699	Clinical (unspecified phase)

Structure

NPC87985 OpenBabel07101718312D 23 25 0 0 1 0 0 0 0 0999 V2000 -0.8660 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2321 0.8660 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 -0.0000 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 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 -1.7321 3.0000 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 -0.8660 0.5000 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 0.8660 1.5000 0.0000 C 0 0 2 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 -1.7321 2.0000 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 1.7321 0.0000 0.0000 C 0 0 0 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 -3.4641 2.0000 0.0000 O 0 0 0 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 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 11 1 0 0 0 0 3 19 1 0 0 0 0 4 19 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 20 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 20 1 0 0 0 0 14 17 2 0 0 0 0 14 21 1 0 0 0 0 15 18 1 0 0 0 0 15 22 1 1 0 0 0 16 19 1 0 0 0 0 16 23 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 1 0 0 0 20 5 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	46833407
ChEMBL	CHEMBL1095396
ZINC

Physicochemical Properties

Molecular Weight:	316.20
ALogP:	0.5532
MLogP:	3.33
XLogP:	3.434
# Rotatable Bonds:	8
Polar Surface Area:	57.53
# H-Bond Aceptor:	2
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	23

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