NPASS Natural Product

Natural Product: NPC15406

Natural Product ID:	NPC15406
Common Name:	n.a.
IUPAC Name:
Synonyms:	9-Methoxyisomoschatoline
Molecular Formula:	C19H15NO5
Standard InCHIKey:	BPGFXFZVEKUBLI-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C19H15NO5/c1-23-9-4-5-10-12(8-9)16(21)15-13-11(6-7-20-15)17(22)19(25-3)18(24-2)14(10)13/h4-8,22H,1-3H3
Canonical SMILES:	COc1ccc2c(c1)C(=O)c1c3c2c(OC)c(OC)c(c3ccn1)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
NPO32767	guatteria hispida	Species	Annonaceae	Eukaryota	bark			PMID[20476748]

Biological Activity

Activity Type	# Activity
Others	1

Activity Type	# Activity
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		Activity	=	1.62		19788270

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 NPC15406 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	388
0.1-0.2	1777
0.2-0.3	6865
0.3-0.4	5650
0.4-0.5	4879
0.5-0.6	8782
0.6-0.7	2234
0.7-0.8	275
0.8-0.85	19
0.85-0.9	6
0.9-0.95	10
0.95-1	4

Similarity Score	Similarity Level	Natural Product ID
0.9638	High Similarity	NPC77878
0.9581	High Similarity	NPC90875
0.9579	High Similarity	NPC233334
0.955	High Similarity	NPC183537
0.9395	High Similarity	NPC24019
0.9324	High Similarity	NPC124313
0.9321	High Similarity	NPC207283
0.9321	High Similarity	NPC84164
0.9276	High Similarity	NPC210296
0.9206	High Similarity	NPC210434
0.914	High Similarity	NPC182907
0.914	High Similarity	NPC189903
0.9095	High Similarity	NPC108342
0.9005	High Similarity	NPC22481
0.894	High Similarity	NPC122463
0.8929	High Similarity	NPC166722
0.8869	High Similarity	NPC278525
0.8791	High Similarity	NPC146976
0.8767	High Similarity	NPC119134
0.8744	High Similarity	NPC236668
0.8433	Intermediate Similarity	NPC470020
0.8426	Intermediate Similarity	NPC134637
0.8416	Intermediate Similarity	NPC473822
0.8341	Intermediate Similarity	NPC174049
0.8305	Intermediate Similarity	NPC270515
0.8298	Intermediate Similarity	NPC107123
0.8272	Intermediate Similarity	NPC132385
0.8208	Intermediate Similarity	NPC478045
0.8182	Intermediate Similarity	NPC96584
0.8182	Intermediate Similarity	NPC255800
0.8174	Intermediate Similarity	NPC201508
0.8166	Intermediate Similarity	NPC246381
0.8159	Intermediate Similarity	NPC302807
0.815	Intermediate Similarity	NPC322482
0.8107	Intermediate Similarity	NPC129897
0.8027	Intermediate Similarity	NPC112206
0.8027	Intermediate Similarity	NPC202605
0.8018	Intermediate Similarity	NPC54066
0.8	Intermediate Similarity	NPC470018
0.7965	Intermediate Similarity	NPC74575
0.7963	Intermediate Similarity	NPC224928
0.795	Intermediate Similarity	NPC208522
0.7948	Intermediate Similarity	NPC118121
0.7946	Intermediate Similarity	NPC251160
0.7932	Intermediate Similarity	NPC41501
0.793	Intermediate Similarity	NPC204446
0.7915	Intermediate Similarity	NPC253675
0.7913	Intermediate Similarity	NPC94842
0.7902	Intermediate Similarity	NPC220337
0.786	Intermediate Similarity	NPC469439
0.786	Intermediate Similarity	NPC133140
0.786	Intermediate Similarity	NPC195268
0.783	Intermediate Similarity	NPC49547
0.7824	Intermediate Similarity	NPC217554
0.7806	Intermediate Similarity	NPC470017
0.7803	Intermediate Similarity	NPC193238
0.7801	Intermediate Similarity	NPC284141
0.7792	Intermediate Similarity	NPC216612
0.7787	Intermediate Similarity	NPC137353
0.7773	Intermediate Similarity	NPC470022
0.7753	Intermediate Similarity	NPC232225
0.7741	Intermediate Similarity	NPC11408
0.7733	Intermediate Similarity	NPC318068
0.7713	Intermediate Similarity	NPC16452
0.7713	Intermediate Similarity	NPC36229
0.7713	Intermediate Similarity	NPC476581
0.768	Intermediate Similarity	NPC282346
0.7669	Intermediate Similarity	NPC469792
0.7647	Intermediate Similarity	NPC476582
0.7647	Intermediate Similarity	NPC4071
0.7647	Intermediate Similarity	NPC476578
0.7642	Intermediate Similarity	NPC235076
0.7642	Intermediate Similarity	NPC298449
0.7634	Intermediate Similarity	NPC164374
0.7634	Intermediate Similarity	NPC137929
0.7634	Intermediate Similarity	NPC210256
0.7627	Intermediate Similarity	NPC476997
0.7621	Intermediate Similarity	NPC188420
0.761	Intermediate Similarity	NPC215837
0.7608	Intermediate Similarity	NPC473639
0.7595	Intermediate Similarity	NPC476998
0.7595	Intermediate Similarity	NPC476996
0.7578	Intermediate Similarity	NPC31930
0.757	Intermediate Similarity	NPC191489
0.7553	Intermediate Similarity	NPC476994
0.7545	Intermediate Similarity	NPC146724
0.7543	Intermediate Similarity	NPC100079
0.7543	Intermediate Similarity	NPC23614
0.7534	Intermediate Similarity	NPC477019
0.7534	Intermediate Similarity	NPC114335
0.7534	Intermediate Similarity	NPC280964
0.7534	Intermediate Similarity	NPC141915
0.7522	Intermediate Similarity	NPC271215
0.7522	Intermediate Similarity	NPC149471
0.7511	Intermediate Similarity	NPC295479
0.7511	Intermediate Similarity	NPC46451
0.7511	Intermediate Similarity	NPC220241
0.75	Intermediate Similarity	NPC89549
0.75	Intermediate Similarity	NPC72905
0.7489	Intermediate Similarity	NPC308943
0.7479	Intermediate Similarity	NPC476995
0.7478	Intermediate Similarity	NPC202768
0.7478	Intermediate Similarity	NPC296482
0.7478	Intermediate Similarity	NPC53069
0.7469	Intermediate Similarity	NPC142385
0.7468	Intermediate Similarity	NPC200888
0.7467	Intermediate Similarity	NPC290689
0.7456	Intermediate Similarity	NPC207873
0.7456	Intermediate Similarity	NPC100573
0.7455	Intermediate Similarity	NPC234197
0.7451	Intermediate Similarity	NPC315634
0.7451	Intermediate Similarity	NPC100734
0.7451	Intermediate Similarity	NPC88923
0.745	Intermediate Similarity	NPC13603
0.745	Intermediate Similarity	NPC472589
0.7444	Intermediate Similarity	NPC17677
0.7431	Intermediate Similarity	NPC473833
0.7426	Intermediate Similarity	NPC473449
0.7418	Intermediate Similarity	NPC253482
0.7412	Intermediate Similarity	NPC313189
0.741	Intermediate Similarity	NPC85879
0.741	Intermediate Similarity	NPC326930
0.741	Intermediate Similarity	NPC53255
0.741	Intermediate Similarity	NPC475301
0.7403	Intermediate Similarity	NPC171409
0.7403	Intermediate Similarity	NPC96405
0.7398	Intermediate Similarity	NPC475648
0.7395	Intermediate Similarity	NPC473506
0.7393	Intermediate Similarity	NPC173080
0.7391	Intermediate Similarity	NPC124086
0.7388	Intermediate Similarity	NPC49672
0.738	Intermediate Similarity	NPC90185
0.7373	Intermediate Similarity	NPC253314
0.7373	Intermediate Similarity	NPC209981
0.7373	Intermediate Similarity	NPC328928
0.7371	Intermediate Similarity	NPC266931
0.7371	Intermediate Similarity	NPC472588
0.7368	Intermediate Similarity	NPC304183
0.7366	Intermediate Similarity	NPC127085
0.7364	Intermediate Similarity	NPC476110
0.7364	Intermediate Similarity	NPC477787
0.7364	Intermediate Similarity	NPC228377
0.7364	Intermediate Similarity	NPC328186
0.7364	Intermediate Similarity	NPC475600
0.7364	Intermediate Similarity	NPC475631
0.7364	Intermediate Similarity	NPC122968
0.7364	Intermediate Similarity	NPC87152
0.736	Intermediate Similarity	NPC67401
0.7355	Intermediate Similarity	NPC172222
0.735	Intermediate Similarity	NPC246658
0.7344	Intermediate Similarity	NPC292416
0.7344	Intermediate Similarity	NPC473689
0.7344	Intermediate Similarity	NPC475596
0.7344	Intermediate Similarity	NPC475303
0.7344	Intermediate Similarity	NPC316841
0.7339	Intermediate Similarity	NPC237740
0.7336	Intermediate Similarity	NPC135549
0.7336	Intermediate Similarity	NPC222561
0.7333	Intermediate Similarity	NPC471977
0.7333	Intermediate Similarity	NPC475644
0.7333	Intermediate Similarity	NPC471190
0.7333	Intermediate Similarity	NPC470486
0.7333	Intermediate Similarity	NPC280714
0.7325	Intermediate Similarity	NPC475406
0.7319	Intermediate Similarity	NPC182853
0.7314	Intermediate Similarity	NPC30456
0.7314	Intermediate Similarity	NPC320324
0.7314	Intermediate Similarity	NPC244839
0.7314	Intermediate Similarity	NPC319880
0.7314	Intermediate Similarity	NPC471004
0.7309	Intermediate Similarity	NPC9482
0.7305	Intermediate Similarity	NPC471978
0.7295	Intermediate Similarity	NPC38959
0.7295	Intermediate Similarity	NPC327904
0.7288	Intermediate Similarity	NPC148409
0.7287	Intermediate Similarity	NPC471979
0.7287	Intermediate Similarity	NPC470042
0.7284	Intermediate Similarity	NPC237702
0.7273	Intermediate Similarity	NPC289905
0.7273	Intermediate Similarity	NPC316065
0.7269	Intermediate Similarity	NPC471489
0.7265	Intermediate Similarity	NPC239763
0.7265	Intermediate Similarity	NPC190401
0.7265	Intermediate Similarity	NPC55470
0.7255	Intermediate Similarity	NPC284685
0.7254	Intermediate Similarity	NPC35208
0.7254	Intermediate Similarity	NPC208898
0.7254	Intermediate Similarity	NPC327769
0.7252	Intermediate Similarity	NPC469390
0.725	Intermediate Similarity	NPC285254
0.7246	Intermediate Similarity	NPC134702
0.724	Intermediate Similarity	NPC475315
0.724	Intermediate Similarity	NPC324619
0.724	Intermediate Similarity	NPC320088
0.7238	Intermediate Similarity	NPC57797
0.7238	Intermediate Similarity	NPC250807
0.7238	Intermediate Similarity	NPC76565
0.7234	Intermediate Similarity	NPC477907
0.7234	Intermediate Similarity	NPC42678
0.7234	Intermediate Similarity	NPC477909

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC15406 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	270
0.1-0.2	706
0.2-0.3	1001
0.3-0.4	1604
0.4-0.5	2590
0.5-0.6	2163
0.6-0.7	767
0.7-0.8	59
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
0.817	Intermediate Similarity	NPD1483	Discontinued
0.7893	Intermediate Similarity	NPD6525	Clinical (unspecified phase)
0.786	Intermediate Similarity	NPD3921	Approved
0.786	Intermediate Similarity	NPD3924	Approved
0.786	Intermediate Similarity	NPD3922	Approved
0.786	Intermediate Similarity	NPD3923	Approved
0.7857	Intermediate Similarity	NPD7885	Phase 2
0.7857	Intermediate Similarity	NPD7886	Phase 2
0.7846	Intermediate Similarity	NPD8091	Phase 3
0.7778	Intermediate Similarity	NPD8350	Clinical (unspecified phase)
0.7632	Intermediate Similarity	NPD7069	Discontinued
0.7573	Intermediate Similarity	NPD6494	Phase 2
0.757	Intermediate Similarity	NPD7708	Approved
0.7511	Intermediate Similarity	NPD3763	Approved
0.7478	Intermediate Similarity	NPD3815	Phase 1
0.7478	Intermediate Similarity	NPD3816	Phase 1
0.7459	Intermediate Similarity	NPD7417	Discontinued
0.7451	Intermediate Similarity	NPD7803	Approved
0.7409	Intermediate Similarity	NPD5488	Discontinued
0.7402	Intermediate Similarity	NPD7862	Clinical (unspecified phase)
0.7393	Intermediate Similarity	NPD7395	Discontinued
0.7375	Intermediate Similarity	NPD5801	Clinical (unspecified phase)
0.7371	Intermediate Similarity	NPD4926	Clinical (unspecified phase)
0.7352	Intermediate Similarity	NPD7169	Suspended
0.7349	Intermediate Similarity	NPD3920	Phase 2
0.7317	Intermediate Similarity	NPD6790	Phase 1
0.7284	Intermediate Similarity	NPD7927	Clinical (unspecified phase)
0.7284	Intermediate Similarity	NPD5040	Clinical (unspecified phase)
0.7281	Intermediate Similarity	NPD7414	Clinical (unspecified phase)
0.7277	Intermediate Similarity	NPD4989	Phase 2
0.7265	Intermediate Similarity	NPD6361	Phase 2
0.7255	Intermediate Similarity	NPD7956	Approved
0.7255	Intermediate Similarity	NPD7955	Approved
0.7202	Intermediate Similarity	NPD3386	Phase 2
0.7195	Intermediate Similarity	NPD5805	Approved
0.7179	Intermediate Similarity	NPD5866	Approved
0.7162	Intermediate Similarity	NPD6477	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD6530	Approved
0.716	Intermediate Similarity	NPD6531	Approved
0.7154	Intermediate Similarity	NPD6503	Clinical (unspecified phase)
0.7149	Intermediate Similarity	NPD4375	Approved
0.7149	Intermediate Similarity	NPD7571	Clinical (unspecified phase)
0.7131	Intermediate Similarity	NPD3326	Clinical (unspecified phase)
0.7119	Intermediate Similarity	NPD7654	Discontinued
0.7114	Intermediate Similarity	NPD6964	Approved
0.7114	Intermediate Similarity	NPD6963	Approved
0.7113	Intermediate Similarity	NPD6242	Discontinued
0.7112	Intermediate Similarity	NPD5429	Discontinued
0.711	Intermediate Similarity	NPD1620	Clinical (unspecified phase)
0.7107	Intermediate Similarity	NPD3263	Phase 3
0.7101	Intermediate Similarity	NPD6568	Discontinued
0.709	Intermediate Similarity	NPD5022	Discontinued
0.7088	Intermediate Similarity	NPD7673	Phase 3
0.708	Intermediate Similarity	NPD6716	Phase 1
0.7071	Intermediate Similarity	NPD2899	Discontinued
0.7047	Intermediate Similarity	NPD5482	Discontinued
0.704	Intermediate Similarity	NPD6257	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD7426	Phase 1
0.7029	Intermediate Similarity	NPD4429	Discontinued
0.7021	Intermediate Similarity	NPD4997	Clinical (unspecified phase)
0.6996	Remote Similarity	NPD3925	Approved
0.6996	Remote Similarity	NPD5530	Phase 1
0.6967	Remote Similarity	NPD5640	Discontinued
0.6957	Remote Similarity	NPD5483	Clinical (unspecified phase)
0.6953	Remote Similarity	NPD4038	Approved
0.6953	Remote Similarity	NPD4035	Approved
0.6953	Remote Similarity	NPD4037	Approved
0.6953	Remote Similarity	NPD4033	Approved
0.6953	Remote Similarity	NPD32	Approved
0.6953	Remote Similarity	NPD4039	Approved
0.6953	Remote Similarity	NPD31	Approved
0.6953	Remote Similarity	NPD4034	Approved
0.6953	Remote Similarity	NPD4036	Approved
0.6953	Remote Similarity	NPD4122	Approved
0.6951	Remote Similarity	NPD4889	Approved
0.6946	Remote Similarity	NPD8149	Discontinued
0.6935	Remote Similarity	NPD7558	Phase 2
0.6935	Remote Similarity	NPD6741	Clinical (unspecified phase)
0.6935	Remote Similarity	NPD4373	Phase 2
0.6926	Remote Similarity	NPD7859	Phase 2
0.6923	Remote Similarity	NPD1505	Phase 2
0.6916	Remote Similarity	NPD6569	Phase 2
0.6914	Remote Similarity	NPD2285	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD8479	Phase 2
0.6895	Remote Similarity	NPD4885	Approved
0.6894	Remote Similarity	NPD7222	Phase 2
0.6888	Remote Similarity	NPD3354	Phase 2
0.6886	Remote Similarity	NPD4551	Phase 2
0.6877	Remote Similarity	NPD3217	Phase 2
0.6875	Remote Similarity	NPD5612	Discontinued
0.6867	Remote Similarity	NPD7922	Phase 1
0.6865	Remote Similarity	NPD8016	Phase 3
0.6865	Remote Similarity	NPD8017	Clinical (unspecified phase)
0.6856	Remote Similarity	NPD5975	Clinical (unspecified phase)
0.6855	Remote Similarity	NPD6962	Phase 2
0.6849	Remote Similarity	NPD4502	Phase 2
0.6842	Remote Similarity	NPD7710	Clinical (unspecified phase)
0.6838	Remote Similarity	NPD5513	Phase 2
0.6833	Remote Similarity	NPD5751	Clinical (unspecified phase)
0.6833	Remote Similarity	NPD7538	Clinical (unspecified phase)
0.6833	Remote Similarity	NPD8310	Clinical (unspecified phase)
0.683	Remote Similarity	NPD6773	Clinical (unspecified phase)
0.6825	Remote Similarity	NPD6825	Phase 1
0.6824	Remote Similarity	NPD6230	Discontinued
0.6821	Remote Similarity	NPD6745	Discontinued
0.6818	Remote Similarity	NPD1923	Clinical (unspecified phase)
0.6815	Remote Similarity	NPD4952	Phase 3
0.6815	Remote Similarity	NPD8052	Clinical (unspecified phase)
0.6809	Remote Similarity	NPD6138	Clinical (unspecified phase)
0.6805	Remote Similarity	NPD2433	Clinical (unspecified phase)
0.6805	Remote Similarity	NPD7925	Phase 2
0.6805	Remote Similarity	NPD7924	Phase 2
0.6803	Remote Similarity	NPD4923	Phase 1
0.6802	Remote Similarity	NPD6553	Clinical (unspecified phase)
0.6802	Remote Similarity	NPD3259	Approved
0.6802	Remote Similarity	NPD7268	Clinical (unspecified phase)
0.6802	Remote Similarity	NPD4845	Discontinued
0.6798	Remote Similarity	NPD2921	Clinical (unspecified phase)
0.6797	Remote Similarity	NPD6460	Clinical (unspecified phase)
0.6795	Remote Similarity	NPD6975	Discontinued
0.679	Remote Similarity	NPD6974	Phase 3
0.6789	Remote Similarity	NPD6872	Clinical (unspecified phase)
0.6783	Remote Similarity	NPD7588	Discontinued
0.6781	Remote Similarity	NPD4396	Clinical (unspecified phase)
0.6778	Remote Similarity	NPD7703	Clinical (unspecified phase)
0.6776	Remote Similarity	NPD1856	Discontinued
0.6774	Remote Similarity	NPD7555	Discontinued
0.6745	Remote Similarity	NPD6517	Phase 3
0.6737	Remote Similarity	NPD3946	Clinical (unspecified phase)
0.6736	Remote Similarity	NPD5914	Approved
0.6733	Remote Similarity	NPD6723	Discontinued
0.6729	Remote Similarity	NPD7689	Approved
0.6729	Remote Similarity	NPD5450	Discontinued
0.6723	Remote Similarity	NPD5658	Approved
0.6723	Remote Similarity	NPD7467	Discontinued
0.6722	Remote Similarity	NPD3795	Approved
0.6722	Remote Similarity	NPD3794	Approved
0.6721	Remote Similarity	NPD6247	Clinical (unspecified phase)
0.6721	Remote Similarity	NPD7586	Clinical (unspecified phase)
0.6709	Remote Similarity	NPD4305	Clinical (unspecified phase)
0.6709	Remote Similarity	NPD6219	Discontinued
0.6709	Remote Similarity	NPD7010	Phase 3
0.6706	Remote Similarity	NPD7807	Clinical (unspecified phase)
0.6705	Remote Similarity	NPD6228	Discontinued
0.6694	Remote Similarity	NPD5417	Clinical (unspecified phase)
0.6694	Remote Similarity	NPD5930	Phase 3
0.6693	Remote Similarity	NPD4350	Approved
0.6693	Remote Similarity	NPD4349	Approved
0.6681	Remote Similarity	NPD3534	Clinical (unspecified phase)
0.6681	Remote Similarity	NPD5512	Phase 3
0.6681	Remote Similarity	NPD7452	Approved
0.6681	Remote Similarity	NPD7453	Approved
0.668	Remote Similarity	NPD6198	Phase 1
0.668	Remote Similarity	NPD4875	Phase 3
0.668	Remote Similarity	NPD4876	Phase 3
0.668	Remote Similarity	NPD7279	Phase 2
0.668	Remote Similarity	NPD7225	Discontinued
0.668	Remote Similarity	NPD3006	Discontinued
0.668	Remote Similarity	NPD7278	Phase 2
0.6678	Remote Similarity	NPD7690	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD8468	Phase 2
0.6667	Remote Similarity	NPD6874	Approved
0.6655	Remote Similarity	NPD8279	Clinical (unspecified phase)
0.6654	Remote Similarity	NPD3809	Discontinued
0.6653	Remote Similarity	NPD6376	Discontinued
0.6653	Remote Similarity	NPD3258	Approved
0.6653	Remote Similarity	NPD2739	Clinical (unspecified phase)
0.6653	Remote Similarity	NPD7203	Clinical (unspecified phase)
0.6652	Remote Similarity	NPD2334	Discontinued
0.6642	Remote Similarity	NPD5867	Clinical (unspecified phase)
0.6641	Remote Similarity	NPD3328	Phase 2
0.6641	Remote Similarity	NPD6276	Discontinued
0.6641	Remote Similarity	NPD8463	Approved
0.664	Remote Similarity	NPD2951	Discontinued
0.664	Remote Similarity	NPD1954	Phase 1
0.664	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.6639	Remote Similarity	NPD5416	Discontinued
0.6639	Remote Similarity	NPD4131	Phase 3
0.6638	Remote Similarity	NPD4418	Discontinued
0.6638	Remote Similarity	NPD5497	Clinical (unspecified phase)
0.6637	Remote Similarity	NPD5522	Clinical (unspecified phase)
0.6629	Remote Similarity	NPD8461	Discontinued
0.6627	Remote Similarity	NPD7676	Clinical (unspecified phase)
0.6627	Remote Similarity	NPD7674	Phase 3
0.6627	Remote Similarity	NPD7675	Phase 3
0.6627	Remote Similarity	NPD6727	Phase 2
0.6626	Remote Similarity	NPD7180	Phase 3
0.6624	Remote Similarity	NPD4044	Discontinued
0.6615	Remote Similarity	NPD4558	Phase 2
0.6614	Remote Similarity	NPD7853	Phase 2
0.6614	Remote Similarity	NPD5469	Phase 3
0.6613	Remote Similarity	NPD7547	Clinical (unspecified phase)
0.661	Remote Similarity	NPD3452	Approved
0.661	Remote Similarity	NPD3450	Approved
0.661	Remote Similarity	NPD2494	Approved
0.661	Remote Similarity	NPD2493	Approved
0.661	Remote Similarity	NPD7566	Clinical (unspecified phase)
0.6602	Remote Similarity	NPD7025	Clinical (unspecified phase)
0.66	Remote Similarity	NPD4328	Approved
0.6599	Remote Similarity	NPD5506	Approved

Structure

NPC15406 OpenBabel07101718322D 25 28 0 0 0 0 0 0 0 0999 V2000 5.1962 2.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3273 -1.2779 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 3.4641 1.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 2.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 3.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 1.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 2.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6945 0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6945 0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 3.0860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.0860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4763 -0.2890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 3.0860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4763 -0.2890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 20 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 23 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 21 2 0 0 0 0 17 19 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	46848681
ChEMBL	CHEMBL1163330
ZINC

Physicochemical Properties

Molecular Weight:	337.10
ALogP:	-0.8795
MLogP:	2.89
XLogP:	1.308
# Rotatable Bonds:	7
Polar Surface Area:	77.88
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	4
# Heavy Atoms:	25

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs