NPASS Natural Product

Natural Product: NPC266899

Natural Product ID:	NPC266899
Common Name:	Aquilarabietic Acid A
IUPAC Name:	(1R,4aS,4bS,7R,9R,10aR)-4b,7,9-trihydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid
Synonyms:	Aquilarabietic acid A
Molecular Formula:	C20H32O5
Standard InCHIKey:	IKFPEPLBKUUDDK-QBUATURESA-N
Standard InCHI:	InChI=1S/C20H32O5/c1-12(2)19(24)8-9-20(25)13(11-19)14(21)10-15-17(3,16(22)23)6-5-7-18(15,20)4/h11-12,14-15,21,24-25H,5-10H2,1-4H3,(H,22,23)/t14-,15+,17-,18+,19+,20-/m1/s1
Canonical SMILES:	O[C@@H]1C[C@H]2[C@@](C)(CCC[C@@]2([C@@]2(C1=C[C@@](O)(CC2)C(C)C)O)C)C(=O)O
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
NPO33033	chinese eaglewood	Species	NA	NA				PMID[23394318]

Biological Activity

Activity Type	# Activity
IC50	1
Others	2

Activity Type	# Activity
Individual Protein	1
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		Inhibition	=	81.8	%	3560159
NPT1072	Individual Protein	Serotonin transporter	Rattus norvegicus	Inhibition	=	42.5	%	8277308
NPT2	Others	Unspecified		IC50	=	910	nM	226705

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 NPC266899 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	135
0.1-0.2	728
0.2-0.3	2574
0.3-0.4	4488
0.4-0.5	10431
0.5-0.6	5088
0.6-0.7	4051
0.7-0.8	3027
0.8-0.85	342
0.85-0.9	22
0.9-0.95	3
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9348	High Similarity	NPC472851
0.9231	High Similarity	NPC470958
0.9231	High Similarity	NPC470957
0.8936	High Similarity	NPC189880
0.8925	High Similarity	NPC272617
0.883	High Similarity	NPC476327
0.883	High Similarity	NPC476318
0.8804	High Similarity	NPC472978
0.8723	High Similarity	NPC134067
0.8723	High Similarity	NPC473240
0.8723	High Similarity	NPC53565
0.8681	High Similarity	NPC104560
0.8667	High Similarity	NPC73038
0.8667	High Similarity	NPC473226
0.8632	High Similarity	NPC116457
0.8617	High Similarity	NPC159365
0.8602	High Similarity	NPC475708
0.8587	High Similarity	NPC472973
0.8586	High Similarity	NPC474281
0.8586	High Similarity	NPC201763
0.8542	High Similarity	NPC254496
0.8526	High Similarity	NPC290481
0.8515	High Similarity	NPC472219
0.8515	High Similarity	NPC472218
0.8515	High Similarity	NPC472217
0.8495	Intermediate Similarity	NPC130278
0.8495	Intermediate Similarity	NPC232202
0.8485	Intermediate Similarity	NPC90177
0.8485	Intermediate Similarity	NPC478057
0.8478	Intermediate Similarity	NPC475101
0.8478	Intermediate Similarity	NPC476427
0.8478	Intermediate Similarity	NPC124927
0.8469	Intermediate Similarity	NPC118964
0.8469	Intermediate Similarity	NPC256247
0.8462	Intermediate Similarity	NPC470415
0.8462	Intermediate Similarity	NPC322159
0.8462	Intermediate Similarity	NPC472985
0.8462	Intermediate Similarity	NPC82979
0.8462	Intermediate Similarity	NPC472986
0.8454	Intermediate Similarity	NPC174663
0.8454	Intermediate Similarity	NPC58942
0.8454	Intermediate Similarity	NPC260149
0.8438	Intermediate Similarity	NPC25848
0.8438	Intermediate Similarity	NPC19376
0.8438	Intermediate Similarity	NPC305464
0.8438	Intermediate Similarity	NPC307282
0.8421	Intermediate Similarity	NPC103527
0.8421	Intermediate Similarity	NPC472977
0.8421	Intermediate Similarity	NPC6818
0.8421	Intermediate Similarity	NPC114159
0.8421	Intermediate Similarity	NPC191412
0.8421	Intermediate Similarity	NPC472976
0.84	Intermediate Similarity	NPC475036
0.8387	Intermediate Similarity	NPC234346
0.8387	Intermediate Similarity	NPC270768
0.8387	Intermediate Similarity	NPC290972
0.8387	Intermediate Similarity	NPC314727
0.8387	Intermediate Similarity	NPC64872
0.8387	Intermediate Similarity	NPC59263
0.8387	Intermediate Similarity	NPC475921
0.8387	Intermediate Similarity	NPC121798
0.8387	Intermediate Similarity	NPC263393
0.8387	Intermediate Similarity	NPC130520
0.8387	Intermediate Similarity	NPC61543
0.8387	Intermediate Similarity	NPC474704
0.8387	Intermediate Similarity	NPC225585
0.8387	Intermediate Similarity	NPC127689
0.8387	Intermediate Similarity	NPC25906
0.8387	Intermediate Similarity	NPC293048
0.8384	Intermediate Similarity	NPC136289
0.8384	Intermediate Similarity	NPC476081
0.837	Intermediate Similarity	NPC477926
0.8367	Intermediate Similarity	NPC470074
0.8365	Intermediate Similarity	NPC90952
0.8351	Intermediate Similarity	NPC285513
0.8351	Intermediate Similarity	NPC476878
0.8351	Intermediate Similarity	NPC476879
0.8333	Intermediate Similarity	NPC139570
0.8317	Intermediate Similarity	NPC323834
0.8317	Intermediate Similarity	NPC127609
0.8316	Intermediate Similarity	NPC158059
0.8316	Intermediate Similarity	NPC477855
0.8316	Intermediate Similarity	NPC118490
0.8316	Intermediate Similarity	NPC202728
0.8316	Intermediate Similarity	NPC229281
0.8316	Intermediate Similarity	NPC118519
0.8315	Intermediate Similarity	NPC249423
0.8302	Intermediate Similarity	NPC474734
0.8298	Intermediate Similarity	NPC126369
0.8298	Intermediate Similarity	NPC210037
0.8298	Intermediate Similarity	NPC290614
0.8298	Intermediate Similarity	NPC273621
0.8298	Intermediate Similarity	NPC477872
0.8298	Intermediate Similarity	NPC134321
0.8298	Intermediate Similarity	NPC7260
0.8298	Intermediate Similarity	NPC227467
0.8298	Intermediate Similarity	NPC469400
0.8298	Intermediate Similarity	NPC470589
0.8298	Intermediate Similarity	NPC18872
0.8298	Intermediate Similarity	NPC111110
0.8298	Intermediate Similarity	NPC120968
0.8283	Intermediate Similarity	NPC81530
0.8283	Intermediate Similarity	NPC471412
0.828	Intermediate Similarity	NPC182797
0.828	Intermediate Similarity	NPC52169
0.8265	Intermediate Similarity	NPC119036
0.8265	Intermediate Similarity	NPC477854
0.8261	Intermediate Similarity	NPC325594
0.8252	Intermediate Similarity	NPC257082
0.8252	Intermediate Similarity	NPC143706
0.8252	Intermediate Similarity	NPC5475
0.8252	Intermediate Similarity	NPC472534
0.8252	Intermediate Similarity	NPC472216
0.8252	Intermediate Similarity	NPC173905
0.8252	Intermediate Similarity	NPC284828
0.8247	Intermediate Similarity	NPC134072
0.8247	Intermediate Similarity	NPC132824
0.8247	Intermediate Similarity	NPC202833
0.8247	Intermediate Similarity	NPC235053
0.8247	Intermediate Similarity	NPC173272
0.8247	Intermediate Similarity	NPC234993
0.8247	Intermediate Similarity	NPC477853
0.8242	Intermediate Similarity	NPC102048
0.8235	Intermediate Similarity	NPC42847
0.8235	Intermediate Similarity	NPC67321
0.8235	Intermediate Similarity	NPC64844
0.8235	Intermediate Similarity	NPC59530
0.8235	Intermediate Similarity	NPC477916
0.8235	Intermediate Similarity	NPC187435
0.8235	Intermediate Similarity	NPC83744
0.8235	Intermediate Similarity	NPC263729
0.8235	Intermediate Similarity	NPC230541
0.8229	Intermediate Similarity	NPC299996
0.8229	Intermediate Similarity	NPC20235
0.8229	Intermediate Similarity	NPC196227
0.8229	Intermediate Similarity	NPC231063
0.8229	Intermediate Similarity	NPC263548
0.8229	Intermediate Similarity	NPC145667
0.8229	Intermediate Similarity	NPC279410
0.8229	Intermediate Similarity	NPC32407
0.8229	Intermediate Similarity	NPC91010
0.8229	Intermediate Similarity	NPC474529
0.8229	Intermediate Similarity	NPC119562
0.8229	Intermediate Similarity	NPC469406
0.8229	Intermediate Similarity	NPC282395
0.8229	Intermediate Similarity	NPC88116
0.8218	Intermediate Similarity	NPC471293
0.8211	Intermediate Similarity	NPC288833
0.8211	Intermediate Similarity	NPC324341
0.8211	Intermediate Similarity	NPC282616
0.8211	Intermediate Similarity	NPC105189
0.8211	Intermediate Similarity	NPC966
0.8211	Intermediate Similarity	NPC187722
0.8211	Intermediate Similarity	NPC228784
0.8211	Intermediate Similarity	NPC155120
0.8211	Intermediate Similarity	NPC472975
0.8208	Intermediate Similarity	NPC117712
0.82	Intermediate Similarity	NPC162973
0.82	Intermediate Similarity	NPC271980
0.82	Intermediate Similarity	NPC193934
0.8191	Intermediate Similarity	NPC281524
0.8191	Intermediate Similarity	NPC198664
0.8191	Intermediate Similarity	NPC16265
0.8191	Intermediate Similarity	NPC143232
0.8191	Intermediate Similarity	NPC274330
0.819	Intermediate Similarity	NPC174836
0.819	Intermediate Similarity	NPC472002
0.819	Intermediate Similarity	NPC277769
0.8182	Intermediate Similarity	NPC474718
0.8182	Intermediate Similarity	NPC239098
0.8182	Intermediate Similarity	NPC471413
0.8182	Intermediate Similarity	NPC218383
0.8182	Intermediate Similarity	NPC471041
0.8182	Intermediate Similarity	NPC154072
0.8173	Intermediate Similarity	NPC472214
0.8173	Intermediate Similarity	NPC472215
0.8172	Intermediate Similarity	NPC88716
0.8172	Intermediate Similarity	NPC307426
0.8172	Intermediate Similarity	NPC51700
0.8172	Intermediate Similarity	NPC474684
0.8172	Intermediate Similarity	NPC102683
0.8172	Intermediate Similarity	NPC18064
0.8172	Intermediate Similarity	NPC298904
0.8172	Intermediate Similarity	NPC293564
0.8172	Intermediate Similarity	NPC98442
0.8172	Intermediate Similarity	NPC142361
0.8172	Intermediate Similarity	NPC171203
0.8172	Intermediate Similarity	NPC130577
0.8172	Intermediate Similarity	NPC242468
0.8172	Intermediate Similarity	NPC142415
0.8172	Intermediate Similarity	NPC68160
0.8172	Intermediate Similarity	NPC231599
0.8163	Intermediate Similarity	NPC253826
0.8163	Intermediate Similarity	NPC247139
0.8163	Intermediate Similarity	NPC320306
0.8163	Intermediate Similarity	NPC43686
0.8163	Intermediate Similarity	NPC9613
0.8155	Intermediate Similarity	NPC189075
0.8155	Intermediate Similarity	NPC163216
0.8155	Intermediate Similarity	NPC329417

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC266899 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	147
0.1-0.2	1224
0.2-0.3	3425
0.3-0.4	2627
0.4-0.5	1143
0.5-0.6	262
0.6-0.7	202
0.7-0.8	130
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8021	Intermediate Similarity	NPD7515	Phase 2
0.7961	Intermediate Similarity	NPD6402	Approved
0.7961	Intermediate Similarity	NPD7128	Approved
0.7961	Intermediate Similarity	NPD5739	Approved
0.7961	Intermediate Similarity	NPD6675	Approved
0.7938	Intermediate Similarity	NPD5778	Approved
0.7938	Intermediate Similarity	NPD5779	Approved
0.7843	Intermediate Similarity	NPD5211	Phase 2
0.7822	Intermediate Similarity	NPD7640	Approved
0.7822	Intermediate Similarity	NPD7639	Approved
0.7812	Intermediate Similarity	NPD5328	Approved
0.781	Intermediate Similarity	NPD6881	Approved
0.781	Intermediate Similarity	NPD6899	Approved
0.781	Intermediate Similarity	NPD7320	Approved
0.78	Intermediate Similarity	NPD4755	Approved
0.7736	Intermediate Similarity	NPD6373	Approved
0.7736	Intermediate Similarity	NPD6372	Approved
0.7723	Intermediate Similarity	NPD7638	Approved
0.7714	Intermediate Similarity	NPD5701	Approved
0.7714	Intermediate Similarity	NPD5697	Approved
0.7692	Intermediate Similarity	NPD5141	Approved
0.7677	Intermediate Similarity	NPD7748	Approved
0.7664	Intermediate Similarity	NPD7102	Approved
0.7664	Intermediate Similarity	NPD7290	Approved
0.7664	Intermediate Similarity	NPD6883	Approved
0.7653	Intermediate Similarity	NPD6411	Approved
0.7653	Intermediate Similarity	NPD6079	Approved
0.7647	Intermediate Similarity	NPD4700	Approved
0.7647	Intermediate Similarity	NPD5286	Approved
0.7647	Intermediate Similarity	NPD4696	Approved
0.7647	Intermediate Similarity	NPD5285	Approved
0.7624	Intermediate Similarity	NPD7902	Approved
0.7593	Intermediate Similarity	NPD6649	Approved
0.7593	Intermediate Similarity	NPD8130	Phase 1
0.7593	Intermediate Similarity	NPD6847	Approved
0.7593	Intermediate Similarity	NPD6650	Approved
0.7593	Intermediate Similarity	NPD6617	Approved
0.7593	Intermediate Similarity	NPD6869	Approved
0.7576	Intermediate Similarity	NPD6399	Phase 3
0.757	Intermediate Similarity	NPD6013	Approved
0.757	Intermediate Similarity	NPD4061	Clinical (unspecified phase)
0.757	Intermediate Similarity	NPD6014	Approved
0.757	Intermediate Similarity	NPD6012	Approved
0.7523	Intermediate Similarity	NPD6882	Approved
0.7523	Intermediate Similarity	NPD8297	Approved
0.75	Intermediate Similarity	NPD5225	Approved
0.75	Intermediate Similarity	NPD4633	Approved
0.75	Intermediate Similarity	NPD5226	Approved
0.75	Intermediate Similarity	NPD3618	Phase 1
0.75	Intermediate Similarity	NPD5224	Approved
0.7477	Intermediate Similarity	NPD6011	Approved
0.7477	Intermediate Similarity	NPD5345	Clinical (unspecified phase)
0.7474	Intermediate Similarity	NPD4786	Approved
0.7455	Intermediate Similarity	NPD4632	Approved
0.7449	Intermediate Similarity	NPD5764	Clinical (unspecified phase)
0.7449	Intermediate Similarity	NPD6101	Approved
0.7447	Intermediate Similarity	NPD3667	Approved
0.7431	Intermediate Similarity	NPD6401	Clinical (unspecified phase)
0.7429	Intermediate Similarity	NPD5174	Approved
0.7429	Intermediate Similarity	NPD5175	Approved
0.7404	Intermediate Similarity	NPD5223	Approved
0.74	Intermediate Similarity	NPD4202	Approved
0.7396	Intermediate Similarity	NPD7520	Clinical (unspecified phase)
0.7353	Intermediate Similarity	NPD5220	Clinical (unspecified phase)
0.7353	Intermediate Similarity	NPD4697	Phase 3
0.7353	Intermediate Similarity	NPD5222	Approved
0.7353	Intermediate Similarity	NPD5221	Approved
0.7339	Intermediate Similarity	NPD5955	Clinical (unspecified phase)
0.7339	Intermediate Similarity	NPD4634	Approved
0.7327	Intermediate Similarity	NPD7900	Approved
0.7327	Intermediate Similarity	NPD7901	Clinical (unspecified phase)
0.7315	Intermediate Similarity	NPD6686	Approved
0.73	Intermediate Similarity	NPD7637	Suspended
0.729	Intermediate Similarity	NPD4768	Approved
0.729	Intermediate Similarity	NPD6008	Approved
0.729	Intermediate Similarity	NPD4767	Approved
0.7282	Intermediate Similarity	NPD5173	Approved
0.7282	Intermediate Similarity	NPD6083	Phase 2
0.7282	Intermediate Similarity	NPD6084	Phase 2
0.7264	Intermediate Similarity	NPD4754	Approved
0.7257	Intermediate Similarity	NPD6009	Approved
0.7257	Intermediate Similarity	NPD7115	Discovery
0.7245	Intermediate Similarity	NPD3573	Approved
0.7234	Intermediate Similarity	NPD7525	Registered
0.7217	Intermediate Similarity	NPD6319	Approved
0.7212	Intermediate Similarity	NPD4225	Approved
0.7203	Intermediate Similarity	NPD7507	Approved
0.717	Intermediate Similarity	NPD7632	Discontinued
0.7168	Intermediate Similarity	NPD6274	Approved
0.7167	Intermediate Similarity	NPD7319	Approved
0.7156	Intermediate Similarity	NPD4729	Approved
0.7156	Intermediate Similarity	NPD5128	Approved
0.7156	Intermediate Similarity	NPD4730	Approved
0.713	Intermediate Similarity	NPD7101	Approved
0.713	Intermediate Similarity	NPD7100	Approved
0.7129	Intermediate Similarity	NPD8035	Phase 2
0.7129	Intermediate Similarity	NPD8034	Phase 2
0.7128	Intermediate Similarity	NPD7645	Phase 2
0.7119	Intermediate Similarity	NPD7492	Approved
0.7113	Intermediate Similarity	NPD3133	Approved
0.7113	Intermediate Similarity	NPD3666	Approved
0.7113	Intermediate Similarity	NPD7338	Clinical (unspecified phase)
0.7113	Intermediate Similarity	NPD3665	Phase 1
0.71	Intermediate Similarity	NPD4753	Phase 2
0.7091	Intermediate Similarity	NPD8132	Clinical (unspecified phase)
0.7069	Intermediate Similarity	NPD6059	Approved
0.7069	Intermediate Similarity	NPD6054	Approved
0.7064	Intermediate Similarity	NPD5954	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD6616	Approved
0.7054	Intermediate Similarity	NPD6053	Discontinued
0.7053	Intermediate Similarity	NPD6930	Phase 2
0.7053	Intermediate Similarity	NPD6931	Approved
0.7043	Intermediate Similarity	NPD6335	Approved
0.7034	Intermediate Similarity	NPD7604	Phase 2
0.7034	Intermediate Similarity	NPD8328	Phase 3
0.7027	Intermediate Similarity	NPD5251	Approved
0.7027	Intermediate Similarity	NPD5250	Approved
0.7027	Intermediate Similarity	NPD5249	Phase 3
0.7027	Intermediate Similarity	NPD5248	Approved
0.7027	Intermediate Similarity	NPD5247	Approved
0.7021	Intermediate Similarity	NPD6114	Approved
0.7021	Intermediate Similarity	NPD5784	Clinical (unspecified phase)
0.7021	Intermediate Similarity	NPD6115	Approved
0.7021	Intermediate Similarity	NPD6118	Approved
0.7021	Intermediate Similarity	NPD6697	Approved
0.701	Intermediate Similarity	NPD6695	Phase 3
0.7009	Intermediate Similarity	NPD5983	Phase 2
0.7009	Intermediate Similarity	NPD6908	Approved
0.7009	Intermediate Similarity	NPD6909	Approved
0.7	Intermediate Similarity	NPD7078	Approved
0.7	Intermediate Similarity	NPD8293	Discontinued
0.697	Remote Similarity	NPD5330	Approved
0.697	Remote Similarity	NPD7146	Approved
0.697	Remote Similarity	NPD7521	Approved
0.697	Remote Similarity	NPD4519	Discontinued
0.697	Remote Similarity	NPD6409	Approved
0.697	Remote Similarity	NPD6684	Approved
0.697	Remote Similarity	NPD7334	Approved
0.697	Remote Similarity	NPD4623	Approved
0.6964	Remote Similarity	NPD5215	Approved
0.6964	Remote Similarity	NPD5217	Approved
0.6964	Remote Similarity	NPD5216	Approved
0.6961	Remote Similarity	NPD7983	Approved
0.6957	Remote Similarity	NPD8295	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD6317	Approved
0.6949	Remote Similarity	NPD6370	Approved
0.6947	Remote Similarity	NPD6929	Approved
0.6942	Remote Similarity	NPD7736	Approved
0.6939	Remote Similarity	NPD3668	Phase 3
0.6923	Remote Similarity	NPD5695	Phase 3
0.6917	Remote Similarity	NPD6336	Discontinued
0.6916	Remote Similarity	NPD5344	Discontinued
0.6915	Remote Similarity	NPD6116	Phase 1
0.6909	Remote Similarity	NPD6412	Phase 2
0.6907	Remote Similarity	NPD4752	Clinical (unspecified phase)
0.69	Remote Similarity	NPD4751	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD6314	Approved
0.6897	Remote Similarity	NPD6313	Approved
0.6887	Remote Similarity	NPD5696	Approved
0.6875	Remote Similarity	NPD4819	Approved
0.6875	Remote Similarity	NPD5368	Approved
0.6875	Remote Similarity	NPD7514	Phase 3
0.6875	Remote Similarity	NPD4821	Approved
0.6875	Remote Similarity	NPD4695	Discontinued
0.6875	Remote Similarity	NPD4822	Approved
0.6875	Remote Similarity	NPD7332	Phase 2
0.6875	Remote Similarity	NPD5135	Approved
0.6875	Remote Similarity	NPD5134	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD5169	Approved
0.6875	Remote Similarity	NPD4820	Approved
0.687	Remote Similarity	NPD6868	Approved
0.6864	Remote Similarity	NPD6016	Approved
0.6864	Remote Similarity	NPD6015	Approved
0.6832	Remote Similarity	NPD6903	Approved
0.6832	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.6832	Remote Similarity	NPD6672	Approved
0.6832	Remote Similarity	NPD5737	Approved
0.6814	Remote Similarity	NPD5127	Approved
0.6809	Remote Similarity	NPD6117	Approved
0.6807	Remote Similarity	NPD5988	Approved
0.68	Remote Similarity	NPD3574	Clinical (unspecified phase)
0.68	Remote Similarity	NPD5279	Phase 3
0.6796	Remote Similarity	NPD5284	Approved
0.6796	Remote Similarity	NPD5281	Approved
0.6765	Remote Similarity	NPD7285	Clinical (unspecified phase)
0.6762	Remote Similarity	NPD5210	Approved
0.6762	Remote Similarity	NPD4629	Approved
0.6762	Remote Similarity	NPD6356	Clinical (unspecified phase)
0.6752	Remote Similarity	NPD7327	Approved
0.6752	Remote Similarity	NPD7328	Approved
0.6737	Remote Similarity	NPD6925	Approved
0.6737	Remote Similarity	NPD5776	Phase 2
0.6735	Remote Similarity	NPD6435	Approved
0.6735	Remote Similarity	NPD4221	Approved
0.6735	Remote Similarity	NPD4223	Phase 3
0.6733	Remote Similarity	NPD7524	Approved
0.6733	Remote Similarity	NPD7750	Discontinued
0.6723	Remote Similarity	NPD8517	Approved
0.6723	Remote Similarity	NPD8515	Approved
0.6723	Remote Similarity	NPD6921	Approved

Structure

NPC266899 OpenBabel07101719152D 25 27 0 0 1 0 0 0 0 0999 V2000 2.8512 2.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2379 2.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9874 0.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8351 -1.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6702 -1.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5053 -1.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8351 -1.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6702 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8351 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6702 0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8351 1.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9198 1.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8351 1.4464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6702 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4696 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5053 -0.4821 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8351 -0.4821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6702 0.9643 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 -0.8351 2.4107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9517 0.3530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9517 -1.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4352 0.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 12 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 13 2 0 0 0 0 11 19 1 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 21 1 1 0 0 0 15 17 1 6 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 22 2 0 0 0 0 16 23 1 0 0 0 0 17 3 1 6 0 0 0 18 20 1 1 0 0 0 19 24 1 1 0 0 0 20 25 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	71578076
ChEMBL	CHEMBL2333389
ZINC

Physicochemical Properties

Molecular Weight:	352.22
ALogP:	-0.3787
MLogP:	3.11
XLogP:	1.166
# Rotatable Bonds:	10
Polar Surface Area:	97.99
# H-Bond Aceptor:	5
# H-Bond Donor:	4
# Rings:	3
# Heavy Atoms:	25

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