NPASS Natural Product

Natural Product: NPC275150

Natural Product ID:	NPC275150
Common Name:	Endiandramide A
IUPAC Name:
Synonyms:	Endiandramide A
Molecular Formula:	C26H31NO3
Standard InCHIKey:	VJYDYOYYSFAXSI-DLGBIPEUSA-N
Standard InCHI:	InChI=1S/C26H31NO3/c1-14(2)12-27-26(28)19-5-4-16-11-21-20(18-7-6-17(19)24(16)25(18)21)9-15-3-8-22-23(10-15)30-13-29-22/h3-8,10,14,16-21,24-25H,9,11-13H2,1-2H3,(H,27,28)/t16-,17+,18-,19-,20-,21+,24-,25-/m1/s1
Canonical SMILES:	CC(CN=C([C@@H]1C=C[C@H]2[C@@H]3[C@H]1C=C[C@H]1[C@@H]3[C@@H](C2)[C@@H]1Cc1ccc2c(c1)OCO2)O)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
NPO9339	Beilschmiedia tsangii	Species	Lauraceae	Eukaryota	roots	Mudan, Pingtung County, Taiwan	2009-APR	PMID[21846089]
NPO569	Micromelum integerrimum	Species	Rutaceae	Eukaryota				UNPD*
NPO3331	Hedysarum sachalinense	Species	Fabaceae	Eukaryota				UNPD*
NPO9215	Papaver glaucum	Species	Papaveraceae	Eukaryota				UNPD*
NPO772	Bosistoa floydii	Species	Rutaceae	Eukaryota				UNPD*
NPO8247	Austrobaileya scandens	Species	Austrobaileyaceae	Eukaryota				UNPD*
NPO6791	Malva rotundifolia	Species	Malvaceae	Eukaryota				UNPD*
NPO9339	Beilschmiedia tsangii	Species	Lauraceae	Eukaryota	Root			PMID[21846089]
NPO6305	Euphorbia jaxartica	Species	Euphorbiaceae	Eukaryota				UNPD*
NPO2861	Pentaceraster regulus	Species	Oreasteridae	Eukaryota				UNPD*
NPO4888	Salvia divaricata	Species	Lamiaceae	Eukaryota				UNPD*
NPO134	Cassia artemisioides	Species	Fabaceae	Eukaryota				UNPD*
NPO345	Quercus laurifolia	Species	Fagaceae	Eukaryota				UNPD*
NPO5582	Inocybe aeruginascens	Species	Inocybaceae	Eukaryota				UNPD*
NPO7401	Centaurea dealbata	Species	Asteraceae	Eukaryota				UNPD*
NPO25126	Sarcophyton latum	Species	Orchidaceae	Eukaryota				UNPD*
NPO4331	Plakortis lita	Species	Plakinidae	Eukaryota				UNPD*
NPO27884	Sphacelaria arctica	Species	Sphacelariaceae	Eukaryota				UNPD*
NPO1462	Amomum sulcatum	Species	Zingiberaceae	Eukaryota				UNPD*
NPO5844	Schlumbergera truncata	Species	Cactaceae	Eukaryota				UNPD*
NPO6053	Veronica intercedens	Species	Plantaginaceae	Eukaryota				UNPD*

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Individual Protein	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT270	Individual Protein	Nitric oxide synthase, inducible	Mus musculus	IC50	=	9590	nM	21846089

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 NPC275150 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	132
0.1-0.2	1079
0.2-0.3	2451
0.3-0.4	8809
0.4-0.5	5002
0.5-0.6	8669
0.6-0.7	4017
0.7-0.8	695
0.8-0.85	18
0.85-0.9	15
0.9-0.95	1
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9706	High Similarity	NPC327623
0.9091	High Similarity	NPC191302
0.8881	High Similarity	NPC246974
0.8881	High Similarity	NPC147247
0.8806	High Similarity	NPC99798
0.8806	High Similarity	NPC157740
0.8731	High Similarity	NPC156944
0.8667	High Similarity	NPC41331
0.8667	High Similarity	NPC291449
0.8657	High Similarity	NPC182147
0.8657	High Similarity	NPC152186
0.8657	High Similarity	NPC246133
0.8657	High Similarity	NPC71105
0.8657	High Similarity	NPC207541
0.8657	High Similarity	NPC170583
0.8593	High Similarity	NPC251466
0.8582	High Similarity	NPC300955
0.8451	Intermediate Similarity	NPC52968
0.8451	Intermediate Similarity	NPC231719
0.8333	Intermediate Similarity	NPC469977
0.8276	Intermediate Similarity	NPC323601
0.8273	Intermediate Similarity	NPC470706
0.8264	Intermediate Similarity	NPC318575
0.8235	Intermediate Similarity	NPC249788
0.8125	Intermediate Similarity	NPC254610
0.8088	Intermediate Similarity	NPC301641
0.8088	Intermediate Similarity	NPC80241
0.8074	Intermediate Similarity	NPC344161
0.8058	Intermediate Similarity	NPC274356
0.8058	Intermediate Similarity	NPC40352
0.8058	Intermediate Similarity	NPC213711
0.8042	Intermediate Similarity	NPC284855
0.8042	Intermediate Similarity	NPC473463
0.8042	Intermediate Similarity	NPC282477
0.8	Intermediate Similarity	NPC189054
0.7958	Intermediate Similarity	NPC114102
0.7929	Intermediate Similarity	NPC301713
0.7917	Intermediate Similarity	NPC218530
0.7891	Intermediate Similarity	NPC77572
0.7872	Intermediate Similarity	NPC153990
0.7872	Intermediate Similarity	NPC177167
0.7857	Intermediate Similarity	NPC17348
0.7847	Intermediate Similarity	NPC147616
0.7847	Intermediate Similarity	NPC219671
0.7847	Intermediate Similarity	NPC227002
0.7847	Intermediate Similarity	NPC104077
0.7847	Intermediate Similarity	NPC259742
0.7832	Intermediate Similarity	NPC171550
0.7832	Intermediate Similarity	NPC134764
0.7832	Intermediate Similarity	NPC275950
0.7817	Intermediate Similarity	NPC155838
0.7808	Intermediate Similarity	NPC174191
0.7793	Intermediate Similarity	NPC169973
0.7792	Intermediate Similarity	NPC474560
0.7778	Intermediate Similarity	NPC130595
0.7778	Intermediate Similarity	NPC476345
0.7778	Intermediate Similarity	NPC214869
0.7778	Intermediate Similarity	NPC93882
0.7762	Intermediate Similarity	NPC52029
0.7762	Intermediate Similarity	NPC35961
0.7762	Intermediate Similarity	NPC195749
0.7746	Intermediate Similarity	NPC158737
0.7746	Intermediate Similarity	NPC186898
0.7746	Intermediate Similarity	NPC64948
0.7727	Intermediate Similarity	NPC31279
0.7724	Intermediate Similarity	NPC285078
0.7724	Intermediate Similarity	NPC313737
0.7724	Intermediate Similarity	NPC106739
0.7724	Intermediate Similarity	NPC6854
0.7724	Intermediate Similarity	NPC471505
0.7708	Intermediate Similarity	NPC308885
0.7708	Intermediate Similarity	NPC181079
0.7708	Intermediate Similarity	NPC255550
0.7708	Intermediate Similarity	NPC173308
0.7704	Intermediate Similarity	NPC475815
0.7704	Intermediate Similarity	NPC47194
0.7704	Intermediate Similarity	NPC473264
0.7698	Intermediate Similarity	NPC38996
0.7698	Intermediate Similarity	NPC160380
0.7692	Intermediate Similarity	NPC226862
0.7692	Intermediate Similarity	NPC57119
0.7692	Intermediate Similarity	NPC158471
0.7692	Intermediate Similarity	NPC165128
0.7687	Intermediate Similarity	NPC142547
0.7687	Intermediate Similarity	NPC135777
0.7671	Intermediate Similarity	NPC196937
0.7664	Intermediate Similarity	NPC474040
0.7652	Intermediate Similarity	NPC127326
0.7643	Intermediate Similarity	NPC30462
0.7639	Intermediate Similarity	NPC476748
0.7622	Intermediate Similarity	NPC100129
0.7622	Intermediate Similarity	NPC251571
0.7619	Intermediate Similarity	NPC47181
0.7609	Intermediate Similarity	NPC281298
0.7609	Intermediate Similarity	NPC310338
0.7603	Intermediate Similarity	NPC97316
0.7597	Intermediate Similarity	NPC476336
0.7589	Intermediate Similarity	NPC31344
0.7589	Intermediate Similarity	NPC317769
0.7586	Intermediate Similarity	NPC271208
0.7586	Intermediate Similarity	NPC477705
0.7586	Intermediate Similarity	NPC233224
0.7586	Intermediate Similarity	NPC477694
0.7586	Intermediate Similarity	NPC63574
0.7584	Intermediate Similarity	NPC185908
0.7568	Intermediate Similarity	NPC184938
0.7568	Intermediate Similarity	NPC150534
0.7568	Intermediate Similarity	NPC18576
0.7568	Intermediate Similarity	NPC101624
0.7556	Intermediate Similarity	NPC165106
0.7554	Intermediate Similarity	NPC242885
0.7554	Intermediate Similarity	NPC95614
0.7554	Intermediate Similarity	NPC56214
0.7554	Intermediate Similarity	NPC227217
0.7554	Intermediate Similarity	NPC232316
0.7554	Intermediate Similarity	NPC117780
0.7554	Intermediate Similarity	NPC165133
0.7548	Intermediate Similarity	NPC77359
0.7537	Intermediate Similarity	NPC166837
0.7534	Intermediate Similarity	NPC227160
0.7534	Intermediate Similarity	NPC477706
0.7534	Intermediate Similarity	NPC82111
0.7534	Intermediate Similarity	NPC192255
0.7533	Intermediate Similarity	NPC88640
0.7533	Intermediate Similarity	NPC193666
0.7533	Intermediate Similarity	NPC123526
0.7533	Intermediate Similarity	NPC156376
0.7532	Intermediate Similarity	NPC16436
0.7518	Intermediate Similarity	NPC471315
0.7518	Intermediate Similarity	NPC471314
0.7517	Intermediate Similarity	NPC95366
0.7517	Intermediate Similarity	NPC14600
0.7517	Intermediate Similarity	NPC312770
0.7517	Intermediate Similarity	NPC248505
0.7517	Intermediate Similarity	NPC204848
0.7517	Intermediate Similarity	NPC41473
0.7517	Intermediate Similarity	NPC193528
0.7517	Intermediate Similarity	NPC160607
0.7516	Intermediate Similarity	NPC5462
0.7516	Intermediate Similarity	NPC145304
0.75	Intermediate Similarity	NPC302506
0.75	Intermediate Similarity	NPC246947
0.7483	Intermediate Similarity	NPC9067
0.7483	Intermediate Similarity	NPC7744
0.7467	Intermediate Similarity	NPC469981
0.7467	Intermediate Similarity	NPC101807
0.7467	Intermediate Similarity	NPC283949
0.7467	Intermediate Similarity	NPC299583
0.7466	Intermediate Similarity	NPC184814
0.7463	Intermediate Similarity	NPC137685
0.7451	Intermediate Similarity	NPC472564
0.7451	Intermediate Similarity	NPC477898
0.745	Intermediate Similarity	NPC145446
0.745	Intermediate Similarity	NPC137172
0.7434	Intermediate Similarity	NPC282291
0.7434	Intermediate Similarity	NPC472711
0.7434	Intermediate Similarity	NPC166137
0.7434	Intermediate Similarity	NPC471908
0.7432	Intermediate Similarity	NPC266848
0.7432	Intermediate Similarity	NPC205915
0.7432	Intermediate Similarity	NPC136750
0.7431	Intermediate Similarity	NPC206882
0.7429	Intermediate Similarity	NPC53596
0.7429	Intermediate Similarity	NPC289330
0.7429	Intermediate Similarity	NPC17388
0.7429	Intermediate Similarity	NPC160120
0.7429	Intermediate Similarity	NPC471308
0.7417	Intermediate Similarity	NPC9068
0.7417	Intermediate Similarity	NPC178290
0.7415	Intermediate Similarity	NPC118419
0.7415	Intermediate Similarity	NPC318862
0.741	Intermediate Similarity	NPC470626
0.741	Intermediate Similarity	NPC474214
0.7405	Intermediate Similarity	NPC148898
0.7403	Intermediate Similarity	NPC84181
0.7403	Intermediate Similarity	NPC179521
0.74	Intermediate Similarity	NPC470707
0.74	Intermediate Similarity	NPC252107
0.74	Intermediate Similarity	NPC197166
0.7394	Intermediate Similarity	NPC256167
0.7394	Intermediate Similarity	NPC85488
0.7391	Intermediate Similarity	NPC81067
0.7391	Intermediate Similarity	NPC69360
0.7391	Intermediate Similarity	NPC9341
0.7383	Intermediate Similarity	NPC96406
0.7383	Intermediate Similarity	NPC170779
0.7383	Intermediate Similarity	NPC90083
0.7376	Intermediate Similarity	NPC183262
0.7372	Intermediate Similarity	NPC475959
0.7368	Intermediate Similarity	NPC46591
0.7368	Intermediate Similarity	NPC284464
0.7368	Intermediate Similarity	NPC177868
0.7368	Intermediate Similarity	NPC56091
0.7368	Intermediate Similarity	NPC226547
0.7365	Intermediate Similarity	NPC100223
0.7365	Intermediate Similarity	NPC171928
0.7365	Intermediate Similarity	NPC16830
0.7365	Intermediate Similarity	NPC33611
0.7365	Intermediate Similarity	NPC261812
0.7365	Intermediate Similarity	NPC72046

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC275150 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	134
0.1-0.2	709
0.2-0.3	1007
0.3-0.4	2472
0.4-0.5	2625
0.5-0.6	1516
0.6-0.7	622
0.7-0.8	74
0.8-0.85	2
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8194	Intermediate Similarity	NPD2161	Phase 2
0.8095	Intermediate Similarity	NPD6331	Phase 2
0.7986	Intermediate Similarity	NPD2157	Approved
0.7821	Intermediate Similarity	NPD5563	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD2674	Phase 3
0.7755	Intermediate Similarity	NPD4108	Discontinued
0.7708	Intermediate Similarity	NPD3144	Approved
0.7708	Intermediate Similarity	NPD3145	Approved
0.7682	Intermediate Similarity	NPD5084	Clinical (unspecified phase)
0.7628	Intermediate Similarity	NPD7028	Phase 2
0.7609	Intermediate Similarity	NPD1357	Approved
0.7556	Intermediate Similarity	NPD5283	Phase 1
0.7533	Intermediate Similarity	NPD1375	Discontinued
0.7532	Intermediate Similarity	NPD4739	Approved
0.75	Intermediate Similarity	NPD1712	Approved
0.7466	Intermediate Similarity	NPD5110	Phase 2
0.7466	Intermediate Similarity	NPD5109	Approved
0.7466	Intermediate Similarity	NPD5111	Phase 2
0.7465	Intermediate Similarity	NPD1669	Approved
0.7447	Intermediate Similarity	NPD3705	Approved
0.7415	Intermediate Similarity	NPD554	Clinical (unspecified phase)
0.7415	Intermediate Similarity	NPD1726	Clinical (unspecified phase)
0.7413	Intermediate Similarity	NPD2922	Phase 1
0.7386	Intermediate Similarity	NPD6658	Clinical (unspecified phase)
0.7372	Intermediate Similarity	NPD52	Approved
0.7372	Intermediate Similarity	NPD5261	Clinical (unspecified phase)
0.7372	Intermediate Similarity	NPD7527	Clinical (unspecified phase)
0.7372	Intermediate Similarity	NPD7526	Approved
0.7368	Intermediate Similarity	NPD7153	Discontinued
0.7346	Intermediate Similarity	NPD5604	Discontinued
0.7343	Intermediate Similarity	NPD3676	Clinical (unspecified phase)
0.7343	Intermediate Similarity	NPD3685	Discontinued
0.7312	Intermediate Similarity	NPD7945	Clinical (unspecified phase)
0.7305	Intermediate Similarity	NPD2668	Approved
0.7305	Intermediate Similarity	NPD2667	Approved
0.729	Intermediate Similarity	NPD6783	Clinical (unspecified phase)
0.7279	Intermediate Similarity	NPD2669	Clinical (unspecified phase)
0.7279	Intermediate Similarity	NPD228	Approved
0.7267	Intermediate Similarity	NPD2492	Phase 1
0.7248	Intermediate Similarity	NPD5837	Clinical (unspecified phase)
0.7248	Intermediate Similarity	NPD3620	Phase 2
0.7248	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7239	Intermediate Similarity	NPD7975	Clinical (unspecified phase)
0.7194	Intermediate Similarity	NPD709	Approved
0.7171	Intermediate Similarity	NPD6029	Clinical (unspecified phase)
0.7171	Intermediate Similarity	NPD6028	Clinical (unspecified phase)
0.7161	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7161	Intermediate Similarity	NPD4110	Phase 3
0.7153	Intermediate Similarity	NPD2232	Approved
0.7153	Intermediate Similarity	NPD2233	Approved
0.7153	Intermediate Similarity	NPD2230	Approved
0.7134	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD4005	Discontinued
0.7114	Intermediate Similarity	NPD5718	Phase 2
0.7105	Intermediate Similarity	NPD6896	Approved
0.7105	Intermediate Similarity	NPD6895	Approved
0.7101	Intermediate Similarity	NPD821	Approved
0.7097	Intermediate Similarity	NPD4237	Approved
0.7097	Intermediate Similarity	NPD4236	Phase 3
0.7095	Intermediate Similarity	NPD5752	Clinical (unspecified phase)
0.7086	Intermediate Similarity	NPD7243	Clinical (unspecified phase)
0.7083	Intermediate Similarity	NPD776	Approved
0.7075	Intermediate Similarity	NPD6584	Phase 3
0.7075	Intermediate Similarity	NPD4624	Approved
0.7055	Intermediate Similarity	NPD2978	Approved
0.7055	Intermediate Similarity	NPD5773	Approved
0.7055	Intermediate Similarity	NPD2977	Approved
0.7055	Intermediate Similarity	NPD5772	Approved
0.7039	Intermediate Similarity	NPD4097	Suspended
0.7032	Intermediate Similarity	NPD1372	Clinical (unspecified phase)
0.703	Intermediate Similarity	NPD7832	Clinical (unspecified phase)
0.703	Intermediate Similarity	NPD7833	Phase 2
0.703	Intermediate Similarity	NPD7831	Phase 2
0.7006	Intermediate Similarity	NPD5241	Discontinued
0.7006	Intermediate Similarity	NPD7199	Phase 2
0.7	Intermediate Similarity	NPD2122	Discontinued
0.6987	Remote Similarity	NPD5177	Phase 3
0.6981	Remote Similarity	NPD4123	Phase 3
0.6974	Remote Similarity	NPD3657	Discovery
0.6957	Remote Similarity	NPD4210	Discontinued
0.6946	Remote Similarity	NPD7201	Clinical (unspecified phase)
0.6928	Remote Similarity	NPD4579	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD2808	Discontinued
0.6923	Remote Similarity	NPD4664	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.6909	Remote Similarity	NPD2358	Clinical (unspecified phase)
0.6908	Remote Similarity	NPD1558	Phase 1
0.6899	Remote Similarity	NPD2219	Phase 1
0.689	Remote Similarity	NPD5722	Discontinued
0.6887	Remote Similarity	NPD1039	Discontinued
0.6883	Remote Similarity	NPD6111	Discontinued
0.6879	Remote Similarity	NPD3060	Approved
0.6871	Remote Similarity	NPD6582	Phase 2
0.6871	Remote Similarity	NPD6583	Phase 3
0.6864	Remote Similarity	NPD7315	Approved
0.6863	Remote Similarity	NPD5735	Approved
0.6842	Remote Similarity	NPD7477	Discontinued
0.6842	Remote Similarity	NPD3058	Clinical (unspecified phase)
0.6821	Remote Similarity	NPD1024	Discontinued
0.6821	Remote Similarity	NPD3027	Phase 3
0.6818	Remote Similarity	NPD6353	Approved
0.6818	Remote Similarity	NPD2653	Approved
0.6815	Remote Similarity	NPD3655	Clinical (unspecified phase)
0.6815	Remote Similarity	NPD7037	Approved
0.6815	Remote Similarity	NPD1044	Clinical (unspecified phase)
0.6813	Remote Similarity	NPD4357	Discontinued
0.6812	Remote Similarity	NPD2684	Approved
0.6807	Remote Similarity	NPD2563	Approved
0.6807	Remote Similarity	NPD5978	Approved
0.6807	Remote Similarity	NPD5977	Approved
0.6807	Remote Similarity	NPD2560	Approved
0.68	Remote Similarity	NPD2040	Clinical (unspecified phase)
0.68	Remote Similarity	NPD2861	Phase 2
0.6797	Remote Similarity	NPD2238	Phase 2
0.6797	Remote Similarity	NPD4140	Approved
0.679	Remote Similarity	NPD5699	Approved
0.6788	Remote Similarity	NPD37	Approved
0.6784	Remote Similarity	NPD2898	Approved
0.6774	Remote Similarity	NPD7119	Phase 2
0.6772	Remote Similarity	NPD4162	Approved
0.6772	Remote Similarity	NPD6674	Discontinued
0.677	Remote Similarity	NPD1754	Clinical (unspecified phase)
0.677	Remote Similarity	NPD7020	Approved
0.677	Remote Similarity	NPD7019	Approved
0.6768	Remote Similarity	NPD4678	Approved
0.6768	Remote Similarity	NPD4675	Approved
0.6768	Remote Similarity	NPD1642	Discontinued
0.6766	Remote Similarity	NPD4967	Phase 2
0.6766	Remote Similarity	NPD4966	Approved
0.6766	Remote Similarity	NPD4965	Approved
0.6763	Remote Similarity	NPD3022	Approved
0.6763	Remote Similarity	NPD3021	Approved
0.6761	Remote Similarity	NPD7280	Phase 3
0.6761	Remote Similarity	NPD7281	Phase 3
0.6757	Remote Similarity	NPD5327	Phase 3
0.6757	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.675	Remote Similarity	NPD7124	Phase 2
0.6744	Remote Similarity	NPD5602	Clinical (unspecified phase)
0.6736	Remote Similarity	NPD5536	Phase 2
0.6732	Remote Similarity	NPD1423	Approved
0.6727	Remote Similarity	NPD5089	Approved
0.6727	Remote Similarity	NPD4772	Phase 2
0.6727	Remote Similarity	NPD4773	Phase 2
0.6727	Remote Similarity	NPD5090	Approved
0.6726	Remote Similarity	NPD4055	Discovery
0.6725	Remote Similarity	NPD2969	Approved
0.6725	Remote Similarity	NPD2970	Approved
0.6723	Remote Similarity	NPD7090	Clinical (unspecified phase)
0.6713	Remote Similarity	NPD7157	Approved
0.671	Remote Similarity	NPD1772	Clinical (unspecified phase)
0.6709	Remote Similarity	NPD7596	Clinical (unspecified phase)
0.669	Remote Similarity	NPD6581	Approved
0.669	Remote Similarity	NPD6580	Approved
0.6689	Remote Similarity	NPD2231	Phase 2
0.6689	Remote Similarity	NPD2235	Phase 2
0.6686	Remote Similarity	NPD6234	Discontinued
0.6686	Remote Similarity	NPD2489	Approved
0.6686	Remote Similarity	NPD27	Approved
0.6667	Remote Similarity	NPD6812	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD6071	Discontinued
0.6667	Remote Similarity	NPD3408	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD1771	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD3051	Approved
0.6667	Remote Similarity	NPD3847	Discontinued
0.6667	Remote Similarity	NPD4584	Approved
0.6667	Remote Similarity	NPD3596	Phase 2
0.6647	Remote Similarity	NPD5929	Approved
0.6644	Remote Similarity	NPD6830	Clinical (unspecified phase)
0.6644	Remote Similarity	NPD3600	Clinical (unspecified phase)
0.6626	Remote Similarity	NPD4319	Phase 2
0.6624	Remote Similarity	NPD3846	Clinical (unspecified phase)
0.6623	Remote Similarity	NPD3163	Approved
0.6623	Remote Similarity	NPD839	Approved
0.6623	Remote Similarity	NPD840	Approved
0.6623	Remote Similarity	NPD3162	Approved
0.662	Remote Similarity	NPD7843	Approved
0.6601	Remote Similarity	NPD7095	Approved
0.66	Remote Similarity	NPD7258	Clinical (unspecified phase)
0.6599	Remote Similarity	NPD4626	Approved
0.6597	Remote Similarity	NPD6387	Discontinued
0.6587	Remote Similarity	NPD3383	Approved
0.6587	Remote Similarity	NPD3384	Approved
0.6587	Remote Similarity	NPD3382	Approved
0.6585	Remote Similarity	NPD3639	Approved
0.6585	Remote Similarity	NPD3640	Phase 3
0.6585	Remote Similarity	NPD4727	Phase 1
0.6585	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6585	Remote Similarity	NPD3641	Approved
0.6584	Remote Similarity	NPD5307	Clinical (unspecified phase)
0.6582	Remote Similarity	NPD6032	Approved
0.6581	Remote Similarity	NPD3109	Approved
0.6581	Remote Similarity	NPD3110	Approved
0.6581	Remote Similarity	NPD4060	Phase 1
0.6579	Remote Similarity	NPD4993	Discontinued
0.6573	Remote Similarity	NPD2229	Approved
0.6573	Remote Similarity	NPD2228	Approved
0.6573	Remote Similarity	NPD2234	Approved
0.6566	Remote Similarity	NPD6875	Approved
0.6566	Remote Similarity	NPD6876	Approved
0.6564	Remote Similarity	NPD7446	Clinical (unspecified phase)

Structure

CID275150 OpenBabel06191716082D 30 35 0 0 1 0 0 0 0 0999 V2000 5.2437 0.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5863 1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3801 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 3.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8862 3.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3778 0.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8771 0.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3461 -0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7071 -0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9319 0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 1.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9673 1.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3395 1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5991 1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 2.5388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1249 1.6238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0000 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3611 2.4194 0.0000 C 0 0 2 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 -0.0000 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6049 0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8978 0.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.9511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0000 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3482 2.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9801 1.8040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7036 3.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4959 0.5233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3518 1.6675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 14 1 0 0 0 0 3 8 2 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 5 19 1 0 0 0 0 6 7 2 0 0 0 0 8 22 1 0 0 0 0 9 15 1 0 0 0 0 10 15 2 0 0 0 0 10 23 1 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 16 4 1 1 0 0 0 16 24 1 0 0 0 0 17 6 1 6 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 18 7 1 6 0 0 0 18 20 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 1 0 0 0 20 9 1 1 0 0 0 20 21 1 0 0 0 0 21 11 1 6 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 25 1 0 0 0 0 26 27 2 3 0 0 0 26 28 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	54669853
ChEMBL	CHEMBL1821987
ZINC

Physicochemical Properties

Molecular Weight:	405.23
ALogP:	0.095
MLogP:	3.88
XLogP:	6.539
# Rotatable Bonds:	8
Polar Surface Area:	51.05
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	6
# Heavy Atoms:	30

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