NPASS Natural Product

Natural Product: NPC207283

Natural Product ID:	NPC207283
Common Name:	Oxophoebine
IUPAC Name:
Synonyms:	Oxophoebine
Molecular Formula:	C20H15NO6
Standard InCHIKey:	JHBLLXUDHWJZMA-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C20H15NO6/c1-23-18-9-4-5-21-16-14(9)15(19(24-2)20(18)25-3)10-6-12-13(27-8-26-12)7-11(10)17(16)22/h4-7H,8H2,1-3H3
Canonical SMILES:	COc1c2c3cc4OCOc4cc3C(=O)c3c2c(c(c1OC)OC)ccn3
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
NPO16455	Xylopia aethiopica	Species	Annonaceae	Eukaryota				PMID[8158166]
NPO33359	miliusa cf. banacea	Species	Annonaceae	Eukaryota				PMID[8158166]

Biological Activity

Activity Type	# Activity
Others	4

Activity Type	# Activity
Organism	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT312	Organism	Saccharomyces cerevisiae	Saccharomyces cerevisiae	Activity	>	500	ug/ml	8463797
NPT312	Organism	Saccharomyces cerevisiae	Saccharomyces cerevisiae	Activity	=	6.4	ug/ml	20158243
NPT312	Organism	Saccharomyces cerevisiae	Saccharomyces cerevisiae	Activity	=	2.6	ug/ml	Open TG-GATES in vivo data: Hematology
NPT312	Organism	Saccharomyces cerevisiae	Saccharomyces cerevisiae	Activity	=	4.7	ug/ml	10757718

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 NPC207283 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	443
0.1-0.2	2041
0.2-0.3	7242
0.3-0.4	5416
0.4-0.5	6089
0.5-0.6	8063
0.6-0.7	1327
0.7-0.8	234
0.8-0.85	15
0.85-0.9	3
0.9-0.95	6
0.95-1	10

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC84164
0.9907	High Similarity	NPC124313
0.972	High Similarity	NPC189903
0.972	High Similarity	NPC182907
0.9682	High Similarity	NPC183537
0.9682	High Similarity	NPC77878
0.9673	High Similarity	NPC108342
0.9626	High Similarity	NPC90875
0.9579	High Similarity	NPC22481
0.9533	High Similarity	NPC233334
0.9493	High Similarity	NPC166722
0.9439	High Similarity	NPC278525
0.9406	High Similarity	NPC210296
0.9349	High Similarity	NPC24019
0.9321	High Similarity	NPC15406
0.9159	High Similarity	NPC210434
0.8744	High Similarity	NPC146976
0.8722	High Similarity	NPC119134
0.8698	High Similarity	NPC236668
0.8479	Intermediate Similarity	NPC251160
0.8421	Intermediate Similarity	NPC253675
0.8387	Intermediate Similarity	NPC470020
0.8304	Intermediate Similarity	NPC122463
0.8263	Intermediate Similarity	NPC270515
0.8153	Intermediate Similarity	NPC235076
0.8136	Intermediate Similarity	NPC188420
0.8106	Intermediate Similarity	NPC322482
0.8091	Intermediate Similarity	NPC478045
0.8056	Intermediate Similarity	NPC477019
0.8044	Intermediate Similarity	NPC23614
0.8044	Intermediate Similarity	NPC100079
0.8027	Intermediate Similarity	NPC271215
0.8027	Intermediate Similarity	NPC149471
0.8009	Intermediate Similarity	NPC46451
0.7982	Intermediate Similarity	NPC296482
0.7982	Intermediate Similarity	NPC53069
0.7982	Intermediate Similarity	NPC202768
0.7974	Intermediate Similarity	NPC174049
0.7972	Intermediate Similarity	NPC234197
0.7957	Intermediate Similarity	NPC470018
0.7925	Intermediate Similarity	NPC134637
0.7922	Intermediate Similarity	NPC74575
0.7919	Intermediate Similarity	NPC313189
0.7904	Intermediate Similarity	NPC118121
0.7902	Intermediate Similarity	NPC96405
0.7902	Intermediate Similarity	NPC171409
0.7895	Intermediate Similarity	NPC54066
0.7885	Intermediate Similarity	NPC204446
0.7863	Intermediate Similarity	NPC132385
0.7838	Intermediate Similarity	NPC135549
0.7837	Intermediate Similarity	NPC318068
0.7814	Intermediate Similarity	NPC133140
0.7814	Intermediate Similarity	NPC195268
0.7807	Intermediate Similarity	NPC473822
0.7801	Intermediate Similarity	NPC107123
0.7787	Intermediate Similarity	NPC49547
0.7773	Intermediate Similarity	NPC129897
0.7764	Intermediate Similarity	NPC470017
0.7753	Intermediate Similarity	NPC55470
0.7749	Intermediate Similarity	NPC216612
0.7746	Intermediate Similarity	NPC137353
0.7742	Intermediate Similarity	NPC191489
0.7731	Intermediate Similarity	NPC470022
0.7673	Intermediate Similarity	NPC302807
0.7668	Intermediate Similarity	NPC16452
0.7668	Intermediate Similarity	NPC36229
0.7668	Intermediate Similarity	NPC476581
0.766	Intermediate Similarity	NPC246381
0.7623	Intermediate Similarity	NPC1608
0.7619	Intermediate Similarity	NPC315634
0.7619	Intermediate Similarity	NPC88923
0.7619	Intermediate Similarity	NPC100734
0.7605	Intermediate Similarity	NPC255800
0.7605	Intermediate Similarity	NPC96584
0.7602	Intermediate Similarity	NPC476578
0.7602	Intermediate Similarity	NPC4071
0.7602	Intermediate Similarity	NPC476582
0.7595	Intermediate Similarity	NPC201508
0.7541	Intermediate Similarity	NPC208522
0.7534	Intermediate Similarity	NPC31930
0.7522	Intermediate Similarity	NPC193238
0.7512	Intermediate Similarity	NPC474009
0.7511	Intermediate Similarity	NPC224928
0.749	Intermediate Similarity	NPC471004
0.7477	Intermediate Similarity	NPC127085
0.7467	Intermediate Similarity	NPC220337
0.7459	Intermediate Similarity	NPC72905
0.7451	Intermediate Similarity	NPC470042
0.7445	Intermediate Similarity	NPC308943
0.7436	Intermediate Similarity	NPC469439
0.7435	Intermediate Similarity	NPC202605
0.7435	Intermediate Similarity	NPC112206
0.7429	Intermediate Similarity	NPC142385
0.7424	Intermediate Similarity	NPC290689
0.7421	Intermediate Similarity	NPC284685
0.7418	Intermediate Similarity	NPC217554
0.7399	Intermediate Similarity	NPC23080
0.7399	Intermediate Similarity	NPC193906
0.7398	Intermediate Similarity	NPC284141
0.7377	Intermediate Similarity	NPC41501
0.7377	Intermediate Similarity	NPC168922
0.7375	Intermediate Similarity	NPC476999
0.7373	Intermediate Similarity	NPC477788
0.7366	Intermediate Similarity	NPC5374
0.7342	Intermediate Similarity	NPC94842
0.7341	Intermediate Similarity	NPC13603
0.7336	Intermediate Similarity	NPC11408
0.7323	Intermediate Similarity	NPC473833
0.7306	Intermediate Similarity	NPC253482
0.7304	Intermediate Similarity	NPC46990
0.7302	Intermediate Similarity	NPC326930
0.7302	Intermediate Similarity	NPC85879
0.7302	Intermediate Similarity	NPC475301
0.7302	Intermediate Similarity	NPC53255
0.7294	Intermediate Similarity	NPC282346
0.7293	Intermediate Similarity	NPC222561
0.7287	Intermediate Similarity	NPC475648
0.728	Intermediate Similarity	NPC473506
0.7277	Intermediate Similarity	NPC87560
0.7277	Intermediate Similarity	NPC195120
0.7266	Intermediate Similarity	NPC328928
0.7253	Intermediate Similarity	NPC474594
0.725	Intermediate Similarity	NPC87152
0.725	Intermediate Similarity	NPC122968
0.725	Intermediate Similarity	NPC477787
0.725	Intermediate Similarity	NPC228377
0.725	Intermediate Similarity	NPC475600
0.725	Intermediate Similarity	NPC475631
0.725	Intermediate Similarity	NPC328186
0.725	Intermediate Similarity	NPC476110
0.7246	Intermediate Similarity	NPC148409
0.7244	Intermediate Similarity	NPC71124
0.724	Intermediate Similarity	NPC312531
0.7235	Intermediate Similarity	NPC206201
0.7233	Intermediate Similarity	NPC303374
0.7231	Intermediate Similarity	NPC292416
0.7231	Intermediate Similarity	NPC475596
0.7231	Intermediate Similarity	NPC473689
0.7231	Intermediate Similarity	NPC475303
0.7231	Intermediate Similarity	NPC217176
0.7231	Intermediate Similarity	NPC316841
0.7231	Intermediate Similarity	NPC473639
0.7227	Intermediate Similarity	NPC215837
0.7222	Intermediate Similarity	NPC4421
0.722	Intermediate Similarity	NPC254957
0.722	Intermediate Similarity	NPC471977
0.722	Intermediate Similarity	NPC476997
0.722	Intermediate Similarity	NPC471190
0.722	Intermediate Similarity	NPC475644
0.722	Intermediate Similarity	NPC470486
0.7213	Intermediate Similarity	NPC475406
0.7206	Intermediate Similarity	NPC148889
0.7205	Intermediate Similarity	NPC120513
0.7205	Intermediate Similarity	NPC164374
0.7205	Intermediate Similarity	NPC210256
0.7205	Intermediate Similarity	NPC137929
0.7203	Intermediate Similarity	NPC212768
0.7203	Intermediate Similarity	NPC75600
0.7203	Intermediate Similarity	NPC473115
0.7203	Intermediate Similarity	NPC473089
0.7203	Intermediate Similarity	NPC6576
0.7203	Intermediate Similarity	NPC158020
0.7202	Intermediate Similarity	NPC244839
0.7202	Intermediate Similarity	NPC30456
0.7202	Intermediate Similarity	NPC320324
0.7202	Intermediate Similarity	NPC319880
0.7198	Intermediate Similarity	NPC471978
0.7197	Intermediate Similarity	NPC122436
0.719	Intermediate Similarity	NPC476996
0.719	Intermediate Similarity	NPC476998
0.7188	Intermediate Similarity	NPC146724
0.7185	Intermediate Similarity	NPC477903
0.7184	Intermediate Similarity	NPC327904
0.7184	Intermediate Similarity	NPC38959
0.7182	Intermediate Similarity	NPC204385
0.7181	Intermediate Similarity	NPC471979
0.7179	Intermediate Similarity	NPC232225
0.7172	Intermediate Similarity	NPC237702
0.7162	Intermediate Similarity	NPC207971
0.7154	Intermediate Similarity	NPC476995
0.7154	Intermediate Similarity	NPC235685
0.7149	Intermediate Similarity	NPC476994
0.7143	Intermediate Similarity	NPC35208
0.7143	Intermediate Similarity	NPC157983
0.7143	Intermediate Similarity	NPC327769
0.7143	Intermediate Similarity	NPC474595
0.7143	Intermediate Similarity	NPC118154
0.7137	Intermediate Similarity	NPC472589
0.7137	Intermediate Similarity	NPC49672
0.7136	Intermediate Similarity	NPC249405
0.7131	Intermediate Similarity	NPC475315
0.7131	Intermediate Similarity	NPC324619
0.713	Intermediate Similarity	NPC268077
0.7126	Intermediate Similarity	NPC101350
0.7125	Intermediate Similarity	NPC57797
0.7125	Intermediate Similarity	NPC250807
0.7125	Intermediate Similarity	NPC76565
0.7121	Intermediate Similarity	NPC89549
0.7119	Intermediate Similarity	NPC469792
0.7115	Intermediate Similarity	NPC67401

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC207283 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	290
0.1-0.2	722
0.2-0.3	1060
0.3-0.4	1652
0.4-0.5	2670
0.5-0.6	2087
0.6-0.7	636
0.7-0.8	43
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
0.8009	Intermediate Similarity	NPD3763	Approved
0.7982	Intermediate Similarity	NPD3816	Phase 1
0.7982	Intermediate Similarity	NPD3815	Phase 1
0.7901	Intermediate Similarity	NPD4926	Clinical (unspecified phase)
0.789	Intermediate Similarity	NPD7885	Phase 2
0.789	Intermediate Similarity	NPD7886	Phase 2
0.7814	Intermediate Similarity	NPD3922	Approved
0.7814	Intermediate Similarity	NPD3921	Approved
0.7814	Intermediate Similarity	NPD3923	Approved
0.7814	Intermediate Similarity	NPD3924	Approved
0.7742	Intermediate Similarity	NPD7708	Approved
0.7737	Intermediate Similarity	NPD8350	Clinical (unspecified phase)
0.7705	Intermediate Similarity	NPD6525	Clinical (unspecified phase)
0.7676	Intermediate Similarity	NPD1483	Discontinued
0.7619	Intermediate Similarity	NPD7803	Approved
0.757	Intermediate Similarity	NPD7862	Clinical (unspecified phase)
0.752	Intermediate Similarity	NPD8091	Phase 3
0.7435	Intermediate Similarity	NPD7069	Discontinued
0.7421	Intermediate Similarity	NPD7956	Approved
0.7421	Intermediate Similarity	NPD7955	Approved
0.7418	Intermediate Similarity	NPD6790	Phase 1
0.7403	Intermediate Similarity	NPD7571	Clinical (unspecified phase)
0.7347	Intermediate Similarity	NPD7417	Discontinued
0.7344	Intermediate Similarity	NPD4885	Approved
0.7333	Intermediate Similarity	NPD5801	Clinical (unspecified phase)
0.7302	Intermediate Similarity	NPD3920	Phase 2
0.7295	Intermediate Similarity	NPD5805	Approved
0.7243	Intermediate Similarity	NPD6494	Phase 2
0.7215	Intermediate Similarity	NPD6242	Discontinued
0.7211	Intermediate Similarity	NPD5482	Discontinued
0.716	Intermediate Similarity	NPD5488	Discontinued
0.7156	Intermediate Similarity	NPD3386	Phase 2
0.7137	Intermediate Similarity	NPD5866	Approved
0.7131	Intermediate Similarity	NPD7395	Discontinued
0.7131	Intermediate Similarity	NPD6568	Discontinued
0.712	Intermediate Similarity	NPD5483	Clinical (unspecified phase)
0.7073	Intermediate Similarity	NPD6963	Approved
0.7073	Intermediate Similarity	NPD6964	Approved
0.7072	Intermediate Similarity	NPD6257	Clinical (unspecified phase)
0.7056	Intermediate Similarity	NPD6727	Phase 2
0.7033	Intermediate Similarity	NPD6741	Clinical (unspecified phase)
0.7033	Intermediate Similarity	NPD5040	Clinical (unspecified phase)
0.703	Intermediate Similarity	NPD3217	Phase 2
0.7017	Intermediate Similarity	NPD4989	Phase 2
0.6987	Remote Similarity	NPD4429	Discontinued
0.6985	Remote Similarity	NPD7673	Phase 3
0.6982	Remote Similarity	NPD4889	Approved
0.698	Remote Similarity	NPD4952	Phase 3
0.6977	Remote Similarity	NPD7169	Suspended
0.6972	Remote Similarity	NPD6716	Phase 1
0.697	Remote Similarity	NPD6477	Clinical (unspecified phase)
0.696	Remote Similarity	NPD2921	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD6460	Clinical (unspecified phase)
0.6946	Remote Similarity	NPD3326	Clinical (unspecified phase)
0.6929	Remote Similarity	NPD8479	Phase 2
0.6923	Remote Similarity	NPD5429	Discontinued
0.6923	Remote Similarity	NPD6531	Approved
0.6923	Remote Similarity	NPD7414	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD6530	Approved
0.6911	Remote Similarity	NPD8052	Clinical (unspecified phase)
0.6906	Remote Similarity	NPD6745	Discontinued
0.6895	Remote Similarity	NPD4373	Phase 2
0.6885	Remote Similarity	NPD6247	Clinical (unspecified phase)
0.6882	Remote Similarity	NPD5450	Discontinued
0.688	Remote Similarity	NPD4846	Phase 2
0.6878	Remote Similarity	NPD7927	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD7588	Discontinued
0.6872	Remote Similarity	NPD2285	Clinical (unspecified phase)
0.6858	Remote Similarity	NPD6228	Discontinued
0.6846	Remote Similarity	NPD3354	Phase 2
0.6842	Remote Similarity	NPD6361	Phase 2
0.6842	Remote Similarity	NPD5022	Discontinued
0.684	Remote Similarity	NPD3006	Discontinued
0.6838	Remote Similarity	NPD6517	Phase 3
0.6835	Remote Similarity	NPD5914	Approved
0.6835	Remote Similarity	NPD4997	Clinical (unspecified phase)
0.6829	Remote Similarity	NPD3259	Approved
0.6824	Remote Similarity	NPD8468	Phase 2
0.6822	Remote Similarity	NPD5658	Approved
0.6821	Remote Similarity	NPD7690	Clinical (unspecified phase)
0.6812	Remote Similarity	NPD4418	Discontinued
0.68	Remote Similarity	NPD4375	Approved
0.6795	Remote Similarity	NPD5513	Phase 2
0.6789	Remote Similarity	NPD3263	Phase 3
0.6789	Remote Similarity	NPD7426	Phase 1
0.6784	Remote Similarity	NPD6230	Discontinued
0.6783	Remote Similarity	NPD6503	Clinical (unspecified phase)
0.6779	Remote Similarity	NPD5459	Phase 2
0.6776	Remote Similarity	NPD7279	Phase 2
0.6776	Remote Similarity	NPD7278	Phase 2
0.6773	Remote Similarity	NPD1923	Clinical (unspecified phase)
0.6766	Remote Similarity	NPD3946	Clinical (unspecified phase)
0.6757	Remote Similarity	NPD1620	Clinical (unspecified phase)
0.6752	Remote Similarity	NPD5005	Approved
0.6752	Remote Similarity	NPD5006	Approved
0.6751	Remote Similarity	NPD4859	Phase 1
0.6749	Remote Similarity	NPD5519	Discontinued
0.6749	Remote Similarity	NPD6974	Phase 3
0.6747	Remote Similarity	NPD6962	Phase 2
0.6738	Remote Similarity	NPD6219	Discontinued
0.6737	Remote Similarity	NPD7010	Phase 3
0.6734	Remote Similarity	NPD7654	Discontinued
0.6731	Remote Similarity	NPD5532	Phase 2
0.6722	Remote Similarity	NPD3257	Approved
0.6708	Remote Similarity	NPD5632	Approved
0.6706	Remote Similarity	NPD5891	Approved
0.6705	Remote Similarity	NPD4558	Phase 2
0.6694	Remote Similarity	NPD8149	Discontinued
0.6694	Remote Similarity	NPD7994	Phase 2
0.6694	Remote Similarity	NPD4923	Phase 1
0.6694	Remote Similarity	NPD7268	Clinical (unspecified phase)
0.6693	Remote Similarity	NPD7558	Phase 2
0.6693	Remote Similarity	NPD8016	Phase 3
0.6693	Remote Similarity	NPD6723	Discontinued
0.6693	Remote Similarity	NPD8017	Clinical (unspecified phase)
0.6692	Remote Similarity	NPD7859	Phase 2
0.6681	Remote Similarity	NPD7467	Discontinued
0.668	Remote Similarity	NPD1505	Phase 2
0.668	Remote Similarity	NPD3925	Approved
0.6678	Remote Similarity	NPD8310	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD5530	Phase 1
0.6667	Remote Similarity	NPD6160	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD7710	Clinical (unspecified phase)
0.6654	Remote Similarity	NPD8461	Discontinued
0.6653	Remote Similarity	NPD5640	Discontinued
0.6653	Remote Similarity	NPD5930	Phase 3
0.6653	Remote Similarity	NPD5850	Phase 3
0.6653	Remote Similarity	NPD7180	Phase 3
0.6652	Remote Similarity	NPD6569	Phase 2
0.6652	Remote Similarity	NPD4420	Approved
0.6642	Remote Similarity	NPD7925	Phase 2
0.6642	Remote Similarity	NPD7924	Phase 2
0.6639	Remote Similarity	NPD7225	Discontinued
0.6639	Remote Similarity	NPD7222	Phase 2
0.6638	Remote Similarity	NPD6281	Approved
0.663	Remote Similarity	NPD7689	Approved
0.6628	Remote Similarity	NPD8100	Phase 3
0.6627	Remote Similarity	NPD6625	Approved
0.6627	Remote Similarity	NPD6553	Clinical (unspecified phase)
0.6624	Remote Similarity	NPD6138	Clinical (unspecified phase)
0.6624	Remote Similarity	NPD4034	Approved
0.6624	Remote Similarity	NPD4036	Approved
0.6624	Remote Similarity	NPD4035	Approved
0.6624	Remote Similarity	NPD4038	Approved
0.6624	Remote Similarity	NPD31	Approved
0.6624	Remote Similarity	NPD32	Approved
0.6624	Remote Similarity	NPD4039	Approved
0.6624	Remote Similarity	NPD4037	Approved
0.6624	Remote Similarity	NPD4122	Approved
0.6624	Remote Similarity	NPD4033	Approved
0.6621	Remote Similarity	NPD8279	Clinical (unspecified phase)
0.6612	Remote Similarity	NPD3258	Approved
0.6612	Remote Similarity	NPD2899	Discontinued
0.6609	Remote Similarity	NPD2334	Discontinued
0.6606	Remote Similarity	NPD1078	Clinical (unspecified phase)
0.6604	Remote Similarity	NPD5867	Clinical (unspecified phase)
0.6603	Remote Similarity	NPD6252	Clinical (unspecified phase)
0.66	Remote Similarity	NPD7555	Discontinued
0.6597	Remote Similarity	NPD5601	Phase 2
0.6596	Remote Similarity	NPD4396	Clinical (unspecified phase)
0.6595	Remote Similarity	NPD5975	Clinical (unspecified phase)
0.6594	Remote Similarity	NPD7233	Approved
0.6594	Remote Similarity	NPD7234	Approved
0.6588	Remote Similarity	NPD6825	Phase 1
0.6584	Remote Similarity	NPD4667	Clinical (unspecified phase)
0.6584	Remote Similarity	NPD7538	Clinical (unspecified phase)
0.6576	Remote Similarity	NPD4875	Phase 3
0.6576	Remote Similarity	NPD4876	Phase 3
0.6575	Remote Similarity	NPD7853	Phase 2
0.6574	Remote Similarity	NPD7567	Approved
0.6573	Remote Similarity	NPD7547	Clinical (unspecified phase)
0.6567	Remote Similarity	NPD5512	Phase 3
0.6567	Remote Similarity	NPD6550	Discontinued
0.656	Remote Similarity	NPD4328	Approved
0.656	Remote Similarity	NPD4845	Discontinued
0.6559	Remote Similarity	NPD6298	Discontinued
0.6557	Remote Similarity	NPD5612	Discontinued
0.6557	Remote Similarity	NPD2433	Clinical (unspecified phase)
0.6552	Remote Similarity	NPD1304	Clinical (unspecified phase)
0.6552	Remote Similarity	NPD8101	Phase 3
0.6552	Remote Similarity	NPD4551	Phase 2
0.6552	Remote Similarity	NPD1038	Approved
0.6549	Remote Similarity	NPD4958	Clinical (unspecified phase)
0.654	Remote Similarity	NPD8463	Approved
0.654	Remote Similarity	NPD6975	Discontinued
0.6538	Remote Similarity	NPD6276	Discontinued
0.6538	Remote Similarity	NPD3328	Phase 2
0.6538	Remote Similarity	NPD8358	Approved
0.6535	Remote Similarity	NPD7807	Clinical (unspecified phase)
0.6532	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.6529	Remote Similarity	NPD6567	Clinical (unspecified phase)
0.6529	Remote Similarity	NPD7703	Clinical (unspecified phase)
0.6527	Remote Similarity	NPD2060	Approved
0.6523	Remote Similarity	NPD7729	Clinical (unspecified phase)
0.652	Remote Similarity	NPD7224	Discontinued
0.652	Remote Similarity	NPD7223	Discontinued
0.6518	Remote Similarity	NPD7858	Clinical (unspecified phase)
0.6518	Remote Similarity	NPD5070	Clinical (unspecified phase)
0.6516	Remote Similarity	NPD6872	Clinical (unspecified phase)
0.6513	Remote Similarity	NPD8102	Discontinued

Structure

NPC207283 OpenBabel07101719242D 27 31 0 0 0 0 0 0 0 0999 V2000 2.4072 -0.0763 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 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 -1.0860 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 -5.0029 -2.0860 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 -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 -3.4641 -1.5860 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 -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 -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 -4.4152 -1.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4152 -2.8950 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 21 1 0 0 0 0 6 10 2 0 0 0 0 6 12 1 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 14 2 0 0 0 0 9 18 1 0 0 0 0 10 11 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 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 19 2 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 22 2 0 0 0 0 18 20 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	159317
ChEMBL	CHEMBL470879
ZINC

Physicochemical Properties

Molecular Weight:	365.09
ALogP:	-0.7219
MLogP:	2.89
XLogP:	1.31
# Rotatable Bonds:	6
Polar Surface Area:	76.11
# H-Bond Aceptor:	2
# H-Bond Donor:	0
# Rings:	5
# Heavy Atoms:	27

Download Data

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