NPASS Natural Product

Natural Product: NPC321670

Natural Product ID:	NPC321670
Common Name:	(Z)-7-[(1R,2R,3R)-3-Hydroxy-2-[(E,3S)-3-Hydroxy-5-Phenylpent-1-Enyl]-5-Oxocyclopentyl]Hept-5-Enoic Acid
IUPAC Name:	(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
Synonyms:
Molecular Formula:	C23H30O5
Standard InCHIKey:	FOBVMYJQWZOGGJ-XYRJXBATSA-N
Standard InCHI:	InChI=1S/C23H30O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-20,22,24,26H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18-,19+,20+,22+/m0/s1
Canonical SMILES:	OC(=O)CCC/C=CC[C@H]1C(=O)C[C@H]([C@@H]1/C=C/[C@H](CCc1ccccc1)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
NPO1797	Homo sapiens	Species	Hominidae	Eukaryota				PMID[25518943]
NPO1797	Homo sapiens	Species	Hominidae	Eukaryota				PMID[25502724]

Biological Activity

Activity Type	# Activity
Potency	1

Activity Type	# Activity
Individual Protein	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT698	Individual Protein	Regulator of G-protein signaling 4	Homo sapiens	Potency		188.9	nM	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 NPC321670 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	141
0.1-0.2	536
0.2-0.3	1396
0.3-0.4	4063
0.4-0.5	8610
0.5-0.6	13441
0.6-0.7	2437
0.7-0.8	258
0.8-0.85	7
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8317	Intermediate Similarity	NPC206764
0.8077	Intermediate Similarity	NPC317280
0.8077	Intermediate Similarity	NPC329387
0.8053	Intermediate Similarity	NPC9274
0.8037	Intermediate Similarity	NPC19136
0.802	Intermediate Similarity	NPC141607
0.802	Intermediate Similarity	NPC187725
0.7982	Intermediate Similarity	NPC20485
0.7981	Intermediate Similarity	NPC289201
0.7946	Intermediate Similarity	NPC206414
0.7946	Intermediate Similarity	NPC287055
0.7946	Intermediate Similarity	NPC306977
0.7946	Intermediate Similarity	NPC242957
0.7931	Intermediate Similarity	NPC472708
0.7909	Intermediate Similarity	NPC469511
0.7905	Intermediate Similarity	NPC210529
0.7905	Intermediate Similarity	NPC160548
0.7905	Intermediate Similarity	NPC175852
0.7863	Intermediate Similarity	NPC133302
0.7851	Intermediate Similarity	NPC477365
0.7843	Intermediate Similarity	NPC317645
0.7787	Intermediate Similarity	NPC477370
0.7769	Intermediate Similarity	NPC477363
0.7769	Intermediate Similarity	NPC477366
0.7755	Intermediate Similarity	NPC44830
0.775	Intermediate Similarity	NPC477362
0.7731	Intermediate Similarity	NPC18785
0.7712	Intermediate Similarity	NPC470585
0.7642	Intermediate Similarity	NPC477767
0.7629	Intermediate Similarity	NPC127343
0.7624	Intermediate Similarity	NPC322387
0.7615	Intermediate Similarity	NPC160382
0.76	Intermediate Similarity	NPC95965
0.7593	Intermediate Similarity	NPC469481
0.7589	Intermediate Similarity	NPC317305
0.7589	Intermediate Similarity	NPC475282
0.7586	Intermediate Similarity	NPC210531
0.7581	Intermediate Similarity	NPC37968
0.7576	Intermediate Similarity	NPC285773
0.7573	Intermediate Similarity	NPC70940
0.7573	Intermediate Similarity	NPC274455
0.7573	Intermediate Similarity	NPC86670
0.7568	Intermediate Similarity	NPC193640
0.7568	Intermediate Similarity	NPC25385
0.7568	Intermediate Similarity	NPC51174
0.7568	Intermediate Similarity	NPC475905
0.7565	Intermediate Similarity	NPC87069
0.7565	Intermediate Similarity	NPC474363
0.7561	Intermediate Similarity	NPC477357
0.7561	Intermediate Similarity	NPC472706
0.7544	Intermediate Similarity	NPC177576
0.7523	Intermediate Similarity	NPC474820
0.7523	Intermediate Similarity	NPC475978
0.7476	Intermediate Similarity	NPC231591
0.7458	Intermediate Similarity	NPC76308
0.7458	Intermediate Similarity	NPC325295
0.7456	Intermediate Similarity	NPC321252
0.7456	Intermediate Similarity	NPC252544
0.7434	Intermediate Similarity	NPC40178
0.7431	Intermediate Similarity	NPC94487
0.7431	Intermediate Similarity	NPC158623
0.7417	Intermediate Similarity	NPC474223
0.7417	Intermediate Similarity	NPC475827
0.7414	Intermediate Similarity	NPC153053
0.7411	Intermediate Similarity	NPC474111
0.7411	Intermediate Similarity	NPC329705
0.7411	Intermediate Similarity	NPC477251
0.7411	Intermediate Similarity	NPC85560
0.7411	Intermediate Similarity	NPC244933
0.7407	Intermediate Similarity	NPC179411
0.7404	Intermediate Similarity	NPC84288
0.7391	Intermediate Similarity	NPC471188
0.7383	Intermediate Similarity	NPC261947
0.7381	Intermediate Similarity	NPC272946
0.7377	Intermediate Similarity	NPC469927
0.7373	Intermediate Similarity	NPC212891
0.7368	Intermediate Similarity	NPC326187
0.7364	Intermediate Similarity	NPC477367
0.7364	Intermediate Similarity	NPC232888
0.736	Intermediate Similarity	NPC472707
0.735	Intermediate Similarity	NPC469509
0.735	Intermediate Similarity	NPC285350
0.7345	Intermediate Similarity	NPC47536
0.7345	Intermediate Similarity	NPC249811
0.7345	Intermediate Similarity	NPC211439
0.7344	Intermediate Similarity	NPC477364
0.7339	Intermediate Similarity	NPC7435
0.7321	Intermediate Similarity	NPC471133
0.7321	Intermediate Similarity	NPC474307
0.7317	Intermediate Similarity	NPC472704
0.7317	Intermediate Similarity	NPC8990
0.7308	Intermediate Similarity	NPC52523
0.7308	Intermediate Similarity	NPC217673
0.7308	Intermediate Similarity	NPC9822
0.7304	Intermediate Similarity	NPC476003
0.73	Intermediate Similarity	NPC283012
0.73	Intermediate Similarity	NPC475199
0.73	Intermediate Similarity	NPC7414
0.7287	Intermediate Similarity	NPC477368
0.7282	Intermediate Similarity	NPC194326
0.7281	Intermediate Similarity	NPC31274
0.728	Intermediate Similarity	NPC471929
0.728	Intermediate Similarity	NPC471930
0.728	Intermediate Similarity	NPC471935
0.7273	Intermediate Similarity	NPC115418
0.7273	Intermediate Similarity	NPC264728
0.7273	Intermediate Similarity	NPC80150
0.7273	Intermediate Similarity	NPC475804
0.7273	Intermediate Similarity	NPC474222
0.7273	Intermediate Similarity	NPC282895
0.7266	Intermediate Similarity	NPC233692
0.7265	Intermediate Similarity	NPC172525
0.7264	Intermediate Similarity	NPC77273
0.7258	Intermediate Similarity	NPC477369
0.7257	Intermediate Similarity	NPC185763
0.7257	Intermediate Similarity	NPC83409
0.7257	Intermediate Similarity	NPC142326
0.7257	Intermediate Similarity	NPC94751
0.7257	Intermediate Similarity	NPC37914
0.7255	Intermediate Similarity	NPC294134
0.7255	Intermediate Similarity	NPC99482
0.725	Intermediate Similarity	NPC104514
0.7248	Intermediate Similarity	NPC271475
0.7248	Intermediate Similarity	NPC229242
0.7241	Intermediate Similarity	NPC321852
0.7236	Intermediate Similarity	NPC474159
0.7236	Intermediate Similarity	NPC474254
0.7236	Intermediate Similarity	NPC472703
0.7232	Intermediate Similarity	NPC249067
0.7232	Intermediate Similarity	NPC329282
0.7228	Intermediate Similarity	NPC288903
0.7228	Intermediate Similarity	NPC270507
0.7227	Intermediate Similarity	NPC190298
0.7227	Intermediate Similarity	NPC471928
0.7227	Intermediate Similarity	NPC471925
0.7227	Intermediate Similarity	NPC471924
0.7222	Intermediate Similarity	NPC21959
0.7218	Intermediate Similarity	NPC242355
0.7212	Intermediate Similarity	NPC477704
0.7212	Intermediate Similarity	NPC329064
0.7212	Intermediate Similarity	NPC477693
0.7207	Intermediate Similarity	NPC25458
0.7207	Intermediate Similarity	NPC304873
0.7207	Intermediate Similarity	NPC284477
0.7207	Intermediate Similarity	NPC474112
0.7207	Intermediate Similarity	NPC320891
0.72	Intermediate Similarity	NPC117180
0.72	Intermediate Similarity	NPC47031
0.72	Intermediate Similarity	NPC79608
0.7193	Intermediate Similarity	NPC156648
0.719	Intermediate Similarity	NPC182240
0.7182	Intermediate Similarity	NPC476042
0.7182	Intermediate Similarity	NPC245561
0.7177	Intermediate Similarity	NPC236981
0.7177	Intermediate Similarity	NPC140118
0.7177	Intermediate Similarity	NPC138798
0.7177	Intermediate Similarity	NPC12881
0.7172	Intermediate Similarity	NPC201225
0.7172	Intermediate Similarity	NPC469894
0.717	Intermediate Similarity	NPC110704
0.717	Intermediate Similarity	NPC86987
0.7168	Intermediate Similarity	NPC13495
0.7168	Intermediate Similarity	NPC471186
0.7167	Intermediate Similarity	NPC471926
0.7157	Intermediate Similarity	NPC44546
0.7157	Intermediate Similarity	NPC304538
0.7156	Intermediate Similarity	NPC270654
0.7155	Intermediate Similarity	NPC475002
0.7155	Intermediate Similarity	NPC260818
0.7155	Intermediate Similarity	NPC477247
0.7155	Intermediate Similarity	NPC95126
0.7154	Intermediate Similarity	NPC369
0.7154	Intermediate Similarity	NPC293831
0.7154	Intermediate Similarity	NPC28836
0.7154	Intermediate Similarity	NPC477359
0.7154	Intermediate Similarity	NPC311492
0.7143	Intermediate Similarity	NPC474365
0.7143	Intermediate Similarity	NPC301943
0.7143	Intermediate Similarity	NPC329556
0.7143	Intermediate Similarity	NPC82426
0.7143	Intermediate Similarity	NPC13426
0.7143	Intermediate Similarity	NPC269598
0.7143	Intermediate Similarity	NPC91820
0.7143	Intermediate Similarity	NPC23402
0.7132	Intermediate Similarity	NPC239358
0.7131	Intermediate Similarity	NPC190663
0.7131	Intermediate Similarity	NPC133389
0.7131	Intermediate Similarity	NPC234337
0.7131	Intermediate Similarity	NPC183339
0.713	Intermediate Similarity	NPC281604
0.713	Intermediate Similarity	NPC85493
0.7129	Intermediate Similarity	NPC99394
0.7129	Intermediate Similarity	NPC87299
0.7129	Intermediate Similarity	NPC323103
0.7129	Intermediate Similarity	NPC329319
0.7129	Intermediate Similarity	NPC103387
0.7129	Intermediate Similarity	NPC103326
0.712	Intermediate Similarity	NPC244454
0.7119	Intermediate Similarity	NPC307651
0.7117	Intermediate Similarity	NPC225079

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC321670 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	138
0.1-0.2	605
0.2-0.3	1252
0.3-0.4	2825
0.4-0.5	2568
0.5-0.6	1365
0.6-0.7	337
0.7-0.8	65
0.8-0.85	5
0.85-0.9	0
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.901	High Similarity	NPD5738	Clinical (unspecified phase)
0.8286	Intermediate Similarity	NPD6647	Phase 2
0.8286	Intermediate Similarity	NPD5765	Approved
0.8151	Intermediate Similarity	NPD6085	Phase 2
0.8151	Intermediate Similarity	NPD5740	Clinical (unspecified phase)
0.8056	Intermediate Similarity	NPD6685	Approved
0.7961	Intermediate Similarity	NPD1693	Approved
0.7905	Intermediate Similarity	NPD9495	Approved
0.7864	Intermediate Similarity	NPD5122	Clinical (unspecified phase)
0.7798	Intermediate Similarity	NPD5048	Discontinued
0.7705	Intermediate Similarity	NPD5647	Approved
0.7699	Intermediate Similarity	NPD6912	Phase 3
0.7576	Intermediate Similarity	NPD9491	Approved
0.7573	Intermediate Similarity	NPD1090	Approved
0.7573	Intermediate Similarity	NPD1086	Approved
0.7573	Intermediate Similarity	NPD1089	Approved
0.7561	Intermediate Similarity	NPD6007	Clinical (unspecified phase)
0.7551	Intermediate Similarity	NPD226	Approved
0.75	Intermediate Similarity	NPD2066	Phase 3
0.7476	Intermediate Similarity	NPD800	Approved
0.7476	Intermediate Similarity	NPD5347	Phase 2
0.7476	Intermediate Similarity	NPD5346	Phase 2
0.7451	Intermediate Similarity	NPD4793	Discontinued
0.7429	Intermediate Similarity	NPD1088	Approved
0.7414	Intermediate Similarity	NPD2652	Approved
0.7414	Intermediate Similarity	NPD2650	Approved
0.7404	Intermediate Similarity	NPD3672	Approved
0.7404	Intermediate Similarity	NPD3673	Approved
0.735	Intermediate Similarity	NPD2629	Approved
0.7345	Intermediate Similarity	NPD6406	Approved
0.7328	Intermediate Similarity	NPD6858	Approved
0.7328	Intermediate Similarity	NPD7094	Approved
0.73	Intermediate Similarity	NPD4269	Approved
0.73	Intermediate Similarity	NPD4270	Approved
0.7282	Intermediate Similarity	NPD1087	Approved
0.7273	Intermediate Similarity	NPD4252	Approved
0.7245	Intermediate Similarity	NPD227	Approved
0.7245	Intermediate Similarity	NPD225	Approved
0.7232	Intermediate Similarity	NPD5909	Discontinued
0.7232	Intermediate Similarity	NPD1237	Approved
0.7217	Intermediate Similarity	NPD2067	Discontinued
0.7172	Intermediate Similarity	NPD9490	Approved
0.717	Intermediate Similarity	NPD1239	Approved
0.7155	Intermediate Similarity	NPD2181	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD1931	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD1929	Approved
0.7143	Intermediate Similarity	NPD1930	Approved
0.7105	Intermediate Similarity	NPD467	Phase 1
0.7087	Intermediate Similarity	NPD5363	Approved
0.7075	Intermediate Similarity	NPD9258	Approved
0.7075	Intermediate Similarity	NPD9256	Approved
0.7064	Intermediate Similarity	NPD1989	Approved
0.7054	Intermediate Similarity	NPD1932	Approved
0.7027	Intermediate Similarity	NPD7798	Approved
0.7019	Intermediate Similarity	NPD5786	Approved
0.7016	Intermediate Similarity	NPD4217	Approved
0.7016	Intermediate Similarity	NPD2610	Approved
0.7016	Intermediate Similarity	NPD3131	Approved
0.7016	Intermediate Similarity	NPD2612	Approved
0.7016	Intermediate Similarity	NPD4218	Approved
0.7016	Intermediate Similarity	NPD2609	Approved
0.7016	Intermediate Similarity	NPD3132	Approved
0.7016	Intermediate Similarity	NPD2611	Approved
0.7016	Intermediate Similarity	NPD4216	Approved
0.7016	Intermediate Similarity	NPD2608	Approved
0.7016	Intermediate Similarity	NPD4215	Approved
0.7009	Intermediate Similarity	NPD4141	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD1564	Approved
0.7	Intermediate Similarity	NPD6663	Approved
0.7	Intermediate Similarity	NPD1566	Phase 3
0.7	Intermediate Similarity	NPD1565	Approved
0.6992	Remote Similarity	NPD7305	Phase 1
0.6983	Remote Similarity	NPD6831	Clinical (unspecified phase)
0.6983	Remote Similarity	NPD2182	Approved
0.6975	Remote Similarity	NPD6010	Discontinued
0.6972	Remote Similarity	NPD688	Clinical (unspecified phase)
0.6953	Remote Similarity	NPD5736	Approved
0.694	Remote Similarity	NPD7137	Phase 2
0.6929	Remote Similarity	NPD6362	Approved
0.6909	Remote Similarity	NPD5206	Clinical (unspecified phase)
0.6889	Remote Similarity	NPD6005	Phase 3
0.6889	Remote Similarity	NPD6004	Phase 3
0.6889	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6889	Remote Similarity	NPD6002	Phase 3
0.6889	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6863	Remote Similarity	NPD5369	Approved
0.6855	Remote Similarity	NPD5305	Approved
0.6855	Remote Similarity	NPD5306	Approved
0.6842	Remote Similarity	NPD6653	Approved
0.6838	Remote Similarity	NPD2329	Discontinued
0.6822	Remote Similarity	NPD3662	Phase 3
0.6822	Remote Similarity	NPD3664	Approved
0.6822	Remote Similarity	NPD3661	Approved
0.6822	Remote Similarity	NPD3663	Approved
0.6818	Remote Similarity	NPD7966	Clinical (unspecified phase)
0.68	Remote Similarity	NPD9294	Approved
0.6786	Remote Similarity	NPD253	Approved
0.6783	Remote Similarity	NPD164	Approved
0.678	Remote Similarity	NPD1317	Discontinued
0.6777	Remote Similarity	NPD690	Clinical (unspecified phase)
0.6769	Remote Similarity	NPD2613	Approved
0.6759	Remote Similarity	NPD5785	Approved
0.6746	Remote Similarity	NPD4806	Approved
0.6746	Remote Similarity	NPD4807	Approved
0.6731	Remote Similarity	NPD5362	Discontinued
0.6731	Remote Similarity	NPD3971	Phase 1
0.6727	Remote Similarity	NPD1202	Approved
0.6727	Remote Similarity	NPD1066	Discontinued
0.6727	Remote Similarity	NPD1563	Approved
0.6726	Remote Similarity	NPD3097	Clinical (unspecified phase)
0.6721	Remote Similarity	NPD3317	Approved
0.672	Remote Similarity	NPD2932	Approved
0.672	Remote Similarity	NPD3019	Approved
0.6698	Remote Similarity	NPD9257	Approved
0.6698	Remote Similarity	NPD9259	Approved
0.6694	Remote Similarity	NPD4479	Discontinued
0.6691	Remote Similarity	NPD5712	Approved
0.6667	Remote Similarity	NPD2626	Approved
0.6667	Remote Similarity	NPD2625	Approved
0.6667	Remote Similarity	NPD4136	Approved
0.6667	Remote Similarity	NPD689	Discontinued
0.6667	Remote Similarity	NPD2160	Approved
0.6667	Remote Similarity	NPD2628	Approved
0.6667	Remote Similarity	NPD2627	Approved
0.6667	Remote Similarity	NPD4106	Approved
0.6667	Remote Similarity	NPD2159	Approved
0.6667	Remote Similarity	NPD4135	Approved
0.6643	Remote Similarity	NPD7236	Approved
0.6639	Remote Similarity	NPD4766	Approved
0.6639	Remote Similarity	NPD5951	Approved
0.6639	Remote Similarity	NPD4233	Approved
0.6639	Remote Similarity	NPD4234	Approved
0.6617	Remote Similarity	NPD3090	Approved
0.6617	Remote Similarity	NPD7715	Approved
0.6617	Remote Similarity	NPD2571	Approved
0.6617	Remote Similarity	NPD7714	Approved
0.6617	Remote Similarity	NPD3614	Approved
0.6617	Remote Similarity	NPD2573	Approved
0.6617	Remote Similarity	NPD3615	Approved
0.6617	Remote Similarity	NPD2570	Approved
0.6617	Remote Similarity	NPD2572	Clinical (unspecified phase)
0.6617	Remote Similarity	NPD3089	Approved
0.6617	Remote Similarity	NPD2574	Discontinued
0.6617	Remote Similarity	NPD4746	Phase 3
0.6617	Remote Similarity	NPD2566	Approved
0.6617	Remote Similarity	NPD4745	Approved
0.6617	Remote Similarity	NPD3616	Approved
0.6617	Remote Similarity	NPD3088	Approved
0.6617	Remote Similarity	NPD3087	Approved
0.661	Remote Similarity	NPD9264	Approved
0.661	Remote Similarity	NPD9263	Approved
0.661	Remote Similarity	NPD9267	Approved
0.6604	Remote Similarity	NPD5734	Clinical (unspecified phase)
0.66	Remote Similarity	NPD9716	Approved
0.6579	Remote Similarity	NPD1238	Approved
0.6569	Remote Similarity	NPD4268	Approved
0.6569	Remote Similarity	NPD4271	Approved
0.6565	Remote Similarity	NPD5204	Approved
0.656	Remote Similarity	NPD7009	Phase 2
0.656	Remote Similarity	NPD3091	Approved
0.6557	Remote Similarity	NPD3598	Phase 3
0.6555	Remote Similarity	NPD74	Approved
0.6555	Remote Similarity	NPD9266	Approved
0.6552	Remote Similarity	NPD5700	Clinical (unspecified phase)
0.6549	Remote Similarity	NPD9566	Approved
0.6538	Remote Similarity	NPD4790	Discontinued
0.6535	Remote Similarity	NPD7457	Clinical (unspecified phase)
0.6532	Remote Similarity	NPD9493	Approved
0.6519	Remote Similarity	NPD6355	Discontinued
0.6519	Remote Similarity	NPD4686	Approved
0.6519	Remote Similarity	NPD4685	Phase 3
0.6519	Remote Similarity	NPD4684	Phase 3
0.6508	Remote Similarity	NPD4102	Approved
0.6508	Remote Similarity	NPD5981	Approved
0.6508	Remote Similarity	NPD4105	Approved
0.6496	Remote Similarity	NPD7033	Discontinued
0.6493	Remote Similarity	NPD7961	Discontinued
0.6484	Remote Similarity	NPD5618	Discontinued
0.648	Remote Similarity	NPD6065	Approved
0.648	Remote Similarity	NPD1758	Phase 1
0.6475	Remote Similarity	NPD5277	Phase 2
0.6466	Remote Similarity	NPD5952	Clinical (unspecified phase)
0.6466	Remote Similarity	NPD4738	Phase 2
0.6457	Remote Similarity	NPD3095	Discontinued
0.6452	Remote Similarity	NPD4198	Discontinued
0.6446	Remote Similarity	NPD3644	Approved
0.6446	Remote Similarity	NPD3642	Approved
0.6446	Remote Similarity	NPD3643	Approved
0.6442	Remote Similarity	NPD5790	Clinical (unspecified phase)
0.6442	Remote Similarity	NPD4821	Approved
0.6442	Remote Similarity	NPD4822	Approved
0.6442	Remote Similarity	NPD4819	Approved
0.6442	Remote Similarity	NPD4820	Approved
0.6429	Remote Similarity	NPD1894	Discontinued
0.6429	Remote Similarity	NPD1759	Phase 1
0.6429	Remote Similarity	NPD2218	Phase 2
0.6429	Remote Similarity	NPD3798	Phase 3
0.6429	Remote Similarity	NPD2217	Approved
0.6429	Remote Similarity	NPD7741	Discontinued
0.6422	Remote Similarity	NPD531	Approved

Structure

CID321670 OpenBabel06191716152D 28 29 0 0 1 0 0 0 0 0999 V2000 -2.1759 -3.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4328 -4.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -1.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3007 -0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -2.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -2.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6407 -5.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4347 -1.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3007 -2.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0169 -2.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8975 -5.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5686 -2.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7026 -2.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9706 -2.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9706 -1.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9781 0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4347 -2.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8366 -2.9945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8090 -1.4013 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1045 -0.9945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4781 -0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1054 -6.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8366 -3.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4727 -0.7626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7431 0.6691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0565 -7.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3623 -7.6303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 7 1 0 0 0 0 3 4 2 0 0 0 0 3 5 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 1 0 0 0 0 8 17 2 0 0 0 0 9 17 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 18 24 1 6 0 0 0 19 10 1 1 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 15 1 6 0 0 0 20 22 1 0 0 0 0 21 25 2 0 0 0 0 22 26 1 1 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	5283068
ChEMBL	CHEMBL1879970
ZINC

Physicochemical Properties

Molecular Weight:	386.21
ALogP:	-1.1662
MLogP:	3.44
XLogP:	4.559
# Rotatable Bonds:	14
Polar Surface Area:	94.83
# H-Bond Aceptor:	5
# H-Bond Donor:	3
# Rings:	2
# Heavy Atoms:	28

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