NPASS Natural Product

Natural Product: NPC175602

Natural Product ID:	NPC175602
Common Name:	Tsitsikammamine A
IUPAC Name:
Synonyms:
Molecular Formula:	C18H13N3O2
Standard InCHIKey:	YEAXSAGTEKAYBH-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C18H13N3O2/c22-11-3-1-9(2-4-11)12-8-21-17-14(12)15-13-10(5-6-19-15)7-20-16(13)18(17)23/h1-4,7-8,20-22H,5-6H2
Canonical SMILES:	Oc1ccc(cc1)c1c[nH]c2c1C1=NCCc3c1c(C2=O)[nH]c3
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
NPO32524	latrunculid sponges	Species	NA	NA		South African		PMID[15332840]

Biological Activity

Activity Type	# Activity
IC50	4
Others	1

Activity Type	# Activity
Cell Line	3
Individual Protein	1
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	=	18100	nM	26465675
NPT306	Cell Line	PC-3	Homo sapiens	IC50	=	23000	nM	26465675
NPT81	Cell Line	A549	Homo sapiens	IC50	=	15600	nM	26465675
NPT393	Cell Line	HCT-116	Homo sapiens	IC50	=	1414	nM	20022253
NPT143	Individual Protein	DNA topoisomerase I	Homo sapiens	Activity	=	59	%	20405844

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 NPC175602 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	348
0.1-0.2	2097
0.2-0.3	9250
0.3-0.4	3949
0.4-0.5	11672
0.5-0.6	1969
0.6-0.7	1321
0.7-0.8	269
0.8-0.85	4
0.85-0.9	5
0.9-0.95	3
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9838	High Similarity	NPC61038
0.963	High Similarity	NPC207866
0.9372	High Similarity	NPC110182
0.9086	High Similarity	NPC269270
0.904	High Similarity	NPC14686
0.8978	High Similarity	NPC473821
0.8936	High Similarity	NPC74153
0.8639	High Similarity	NPC78767
0.8639	High Similarity	NPC473814
0.8632	High Similarity	NPC93390
0.8333	Intermediate Similarity	NPC27041
0.8213	Intermediate Similarity	NPC276657
0.8204	Intermediate Similarity	NPC264285
0.8084	Intermediate Similarity	NPC207686
0.7962	Intermediate Similarity	NPC16352
0.7913	Intermediate Similarity	NPC82370
0.7885	Intermediate Similarity	NPC237740
0.7854	Intermediate Similarity	NPC15801
0.7847	Intermediate Similarity	NPC322064
0.7834	Intermediate Similarity	NPC279189
0.7834	Intermediate Similarity	NPC200553
0.7812	Intermediate Similarity	NPC271792
0.78	Intermediate Similarity	NPC227582
0.7778	Intermediate Similarity	NPC99666
0.7778	Intermediate Similarity	NPC324149
0.7772	Intermediate Similarity	NPC315491
0.7772	Intermediate Similarity	NPC45459
0.7768	Intermediate Similarity	NPC178858
0.7757	Intermediate Similarity	NPC229893
0.7744	Intermediate Similarity	NPC295158
0.7727	Intermediate Similarity	NPC162002
0.7718	Intermediate Similarity	NPC183777
0.7699	Intermediate Similarity	NPC63971
0.7699	Intermediate Similarity	NPC91868
0.7692	Intermediate Similarity	NPC235685
0.7685	Intermediate Similarity	NPC213308
0.7685	Intermediate Similarity	NPC252338
0.7682	Intermediate Similarity	NPC174489
0.7682	Intermediate Similarity	NPC475635
0.7673	Intermediate Similarity	NPC131887
0.7658	Intermediate Similarity	NPC101350
0.7639	Intermediate Similarity	NPC476818
0.7633	Intermediate Similarity	NPC270918
0.7624	Intermediate Similarity	NPC77555
0.7619	Intermediate Similarity	NPC219087
0.7613	Intermediate Similarity	NPC26641
0.7596	Intermediate Similarity	NPC171787
0.7592	Intermediate Similarity	NPC262338
0.758	Intermediate Similarity	NPC326363
0.7576	Intermediate Similarity	NPC46580
0.757	Intermediate Similarity	NPC48317
0.7559	Intermediate Similarity	NPC472285
0.7545	Intermediate Similarity	NPC37152
0.7543	Intermediate Similarity	NPC63109
0.7526	Intermediate Similarity	NPC284775
0.7523	Intermediate Similarity	NPC325976
0.7512	Intermediate Similarity	NPC122436
0.75	Intermediate Similarity	NPC306376
0.75	Intermediate Similarity	NPC475874
0.75	Intermediate Similarity	NPC83111
0.7489	Intermediate Similarity	NPC477549
0.7477	Intermediate Similarity	NPC469727
0.7476	Intermediate Similarity	NPC471944
0.7475	Intermediate Similarity	NPC314002
0.7463	Intermediate Similarity	NPC74413
0.7462	Intermediate Similarity	NPC220765
0.7455	Intermediate Similarity	NPC194740
0.7452	Intermediate Similarity	NPC470500
0.7451	Intermediate Similarity	NPC156704
0.745	Intermediate Similarity	NPC473628
0.745	Intermediate Similarity	NPC321708
0.743	Intermediate Similarity	NPC36405
0.7429	Intermediate Similarity	NPC86834
0.7429	Intermediate Similarity	NPC210828
0.7429	Intermediate Similarity	NPC143075
0.7429	Intermediate Similarity	NPC39679
0.7426	Intermediate Similarity	NPC56170
0.7426	Intermediate Similarity	NPC471448
0.7424	Intermediate Similarity	NPC204717
0.7419	Intermediate Similarity	NPC473317
0.7412	Intermediate Similarity	NPC78609
0.7409	Intermediate Similarity	NPC302647
0.7406	Intermediate Similarity	NPC23294
0.74	Intermediate Similarity	NPC278434
0.7389	Intermediate Similarity	NPC304203
0.7381	Intermediate Similarity	NPC88008
0.7376	Intermediate Similarity	NPC476460
0.7366	Intermediate Similarity	NPC182222
0.7366	Intermediate Similarity	NPC97902
0.7364	Intermediate Similarity	NPC24370
0.7364	Intermediate Similarity	NPC319232
0.7362	Intermediate Similarity	NPC74619
0.736	Intermediate Similarity	NPC79777
0.7358	Intermediate Similarity	NPC303951
0.7356	Intermediate Similarity	NPC260900
0.7353	Intermediate Similarity	NPC276517
0.735	Intermediate Similarity	NPC171171
0.7349	Intermediate Similarity	NPC330009
0.7345	Intermediate Similarity	NPC41679
0.733	Intermediate Similarity	NPC477044
0.733	Intermediate Similarity	NPC67288
0.733	Intermediate Similarity	NPC477041
0.7327	Intermediate Similarity	NPC74360
0.7321	Intermediate Similarity	NPC53144
0.7321	Intermediate Similarity	NPC134848
0.7318	Intermediate Similarity	NPC125597
0.7313	Intermediate Similarity	NPC474259
0.7313	Intermediate Similarity	NPC23476
0.7313	Intermediate Similarity	NPC477415
0.7312	Intermediate Similarity	NPC471655
0.7309	Intermediate Similarity	NPC477112
0.7306	Intermediate Similarity	NPC220851
0.7304	Intermediate Similarity	NPC326422
0.7301	Intermediate Similarity	NPC184225
0.7299	Intermediate Similarity	NPC283117
0.7294	Intermediate Similarity	NPC323969
0.7286	Intermediate Similarity	NPC477043
0.7286	Intermediate Similarity	NPC475070
0.7282	Intermediate Similarity	NPC167710
0.7277	Intermediate Similarity	NPC196718
0.7277	Intermediate Similarity	NPC309845
0.7277	Intermediate Similarity	NPC11464
0.7277	Intermediate Similarity	NPC132329
0.7273	Intermediate Similarity	NPC328318
0.7273	Intermediate Similarity	NPC234403
0.7273	Intermediate Similarity	NPC328596
0.7268	Intermediate Similarity	NPC202812
0.7263	Intermediate Similarity	NPC474492
0.7259	Intermediate Similarity	NPC59269
0.7259	Intermediate Similarity	NPC184964
0.7259	Intermediate Similarity	NPC96890
0.7256	Intermediate Similarity	NPC477610
0.7249	Intermediate Similarity	NPC295452
0.7249	Intermediate Similarity	NPC473312
0.7249	Intermediate Similarity	NPC171393
0.7246	Intermediate Similarity	NPC475746
0.7243	Intermediate Similarity	NPC87413
0.7243	Intermediate Similarity	NPC9894
0.7238	Intermediate Similarity	NPC476098
0.7235	Intermediate Similarity	NPC293151
0.7233	Intermediate Similarity	NPC242209
0.7232	Intermediate Similarity	NPC260434
0.7228	Intermediate Similarity	NPC206186
0.7227	Intermediate Similarity	NPC216612
0.7225	Intermediate Similarity	NPC100104
0.7225	Intermediate Similarity	NPC470680
0.7222	Intermediate Similarity	NPC72980
0.7222	Intermediate Similarity	NPC67659
0.7214	Intermediate Similarity	NPC241025
0.7212	Intermediate Similarity	NPC477045
0.7204	Intermediate Similarity	NPC472259
0.72	Intermediate Similarity	NPC102593
0.7198	Intermediate Similarity	NPC90229
0.7196	Intermediate Similarity	NPC124086
0.7195	Intermediate Similarity	NPC322482
0.7192	Intermediate Similarity	NPC209917
0.7191	Intermediate Similarity	NPC314882
0.719	Intermediate Similarity	NPC57398
0.719	Intermediate Similarity	NPC476073
0.719	Intermediate Similarity	NPC211813
0.719	Intermediate Similarity	NPC470678
0.7189	Intermediate Similarity	NPC3207
0.7189	Intermediate Similarity	NPC469928
0.7184	Intermediate Similarity	NPC146724
0.7182	Intermediate Similarity	NPC60621
0.7171	Intermediate Similarity	NPC47190
0.717	Intermediate Similarity	NPC317373
0.7168	Intermediate Similarity	NPC323752
0.7168	Intermediate Similarity	NPC70155
0.7163	Intermediate Similarity	NPC474916
0.7163	Intermediate Similarity	NPC192315
0.7163	Intermediate Similarity	NPC294375
0.7157	Intermediate Similarity	NPC110500
0.7157	Intermediate Similarity	NPC149155
0.7157	Intermediate Similarity	NPC139763
0.7157	Intermediate Similarity	NPC203468
0.7157	Intermediate Similarity	NPC154339
0.7156	Intermediate Similarity	NPC246658
0.7156	Intermediate Similarity	NPC317701
0.7143	Intermediate Similarity	NPC77101
0.7143	Intermediate Similarity	NPC17059
0.7137	Intermediate Similarity	NPC208898
0.7136	Intermediate Similarity	NPC283219
0.7136	Intermediate Similarity	NPC150239
0.7136	Intermediate Similarity	NPC126709
0.7136	Intermediate Similarity	NPC55772
0.7136	Intermediate Similarity	NPC213468
0.7136	Intermediate Similarity	NPC248041
0.7135	Intermediate Similarity	NPC131718
0.713	Intermediate Similarity	NPC210296
0.713	Intermediate Similarity	NPC471194
0.713	Intermediate Similarity	NPC471193
0.7129	Intermediate Similarity	NPC15102
0.7129	Intermediate Similarity	NPC308931
0.7129	Intermediate Similarity	NPC99939
0.7129	Intermediate Similarity	NPC476167
0.7128	Intermediate Similarity	NPC63751
0.7128	Intermediate Similarity	NPC78020
0.7123	Intermediate Similarity	NPC303658
0.7123	Intermediate Similarity	NPC327592

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC175602 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	222
0.1-0.2	642
0.2-0.3	944
0.3-0.4	1052
0.4-0.5	2967
0.5-0.6	2434
0.6-0.7	849
0.7-0.8	51
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.797	Intermediate Similarity	NPD5901	Discontinued
0.7854	Intermediate Similarity	NPD6376	Discontinued
0.7772	Intermediate Similarity	NPD484	Approved
0.7739	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.7731	Intermediate Similarity	NPD4845	Discontinued
0.7711	Intermediate Similarity	NPD7948	Phase 1
0.7689	Intermediate Similarity	NPD8405	Clinical (unspecified phase)
0.7636	Intermediate Similarity	NPD5040	Clinical (unspecified phase)
0.7617	Intermediate Similarity	NPD6242	Discontinued
0.7443	Intermediate Similarity	NPD7603	Discontinued
0.7411	Intermediate Similarity	NPD3178	Discontinued
0.7391	Intermediate Similarity	NPD4511	Phase 1
0.7333	Intermediate Similarity	NPD5065	Approved
0.7286	Intermediate Similarity	NPD5426	Phase 3
0.7217	Intermediate Similarity	NPD6838	Clinical (unspecified phase)
0.7188	Intermediate Similarity	NPD5801	Clinical (unspecified phase)
0.7169	Intermediate Similarity	NPD7203	Clinical (unspecified phase)
0.7163	Intermediate Similarity	NPD7470	Discontinued
0.7157	Intermediate Similarity	NPD482	Approved
0.7143	Intermediate Similarity	NPD4948	Discontinued
0.7129	Intermediate Similarity	NPD6999	Discontinued
0.7129	Intermediate Similarity	NPD6344	Clinical (unspecified phase)
0.7129	Intermediate Similarity	NPD7000	Clinical (unspecified phase)
0.7129	Intermediate Similarity	NPD6137	Clinical (unspecified phase)
0.7124	Intermediate Similarity	NPD3746	Discontinued
0.7122	Intermediate Similarity	NPD6180	Clinical (unspecified phase)
0.7121	Intermediate Similarity	NPD749	Clinical (unspecified phase)
0.7113	Intermediate Similarity	NPD6531	Approved
0.7113	Intermediate Similarity	NPD6530	Approved
0.7103	Intermediate Similarity	NPD2510	Approved
0.7103	Intermediate Similarity	NPD2509	Approved
0.7089	Intermediate Similarity	NPD4862	Clinical (unspecified phase)
0.7079	Intermediate Similarity	NPD3607	Clinical (unspecified phase)
0.7048	Intermediate Similarity	NPD3814	Phase 1
0.7045	Intermediate Similarity	NPD4429	Discontinued
0.7044	Intermediate Similarity	NPD6610	Clinical (unspecified phase)
0.7041	Intermediate Similarity	NPD2781	Approved
0.7039	Intermediate Similarity	NPD5483	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD7998	Clinical (unspecified phase)
0.7032	Intermediate Similarity	NPD3393	Approved
0.7032	Intermediate Similarity	NPD3394	Approved
0.7032	Intermediate Similarity	NPD3389	Approved
0.7032	Intermediate Similarity	NPD5612	Discontinued
0.703	Intermediate Similarity	NPD2092	Phase 2
0.703	Intermediate Similarity	NPD2095	Phase 2
0.703	Intermediate Similarity	NPD5728	Clinical (unspecified phase)
0.703	Intermediate Similarity	NPD2094	Phase 2
0.7026	Intermediate Similarity	NPD2782	Approved
0.7026	Intermediate Similarity	NPD3914	Clinical (unspecified phase)
0.7026	Intermediate Similarity	NPD2780	Approved
0.7013	Intermediate Similarity	NPD2921	Clinical (unspecified phase)
0.6995	Remote Similarity	NPD2096	Phase 2
0.6995	Remote Similarity	NPD2091	Phase 2
0.6972	Remote Similarity	NPD8093	Discontinued
0.6972	Remote Similarity	NPD3330	Phase 1
0.6971	Remote Similarity	NPD1038	Approved
0.6971	Remote Similarity	NPD1304	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD3006	Discontinued
0.6955	Remote Similarity	NPD6803	Clinical (unspecified phase)
0.6951	Remote Similarity	NPD4923	Phase 1
0.6948	Remote Similarity	NPD6975	Discontinued
0.6944	Remote Similarity	NPD7666	Phase 3
0.6944	Remote Similarity	NPD7665	Phase 2
0.6941	Remote Similarity	NPD3243	Approved
0.6941	Remote Similarity	NPD8094	Discontinued
0.6933	Remote Similarity	NPD7586	Clinical (unspecified phase)
0.6931	Remote Similarity	NPD6595	Phase 3
0.693	Remote Similarity	NPD6732	Clinical (unspecified phase)
0.693	Remote Similarity	NPD7001	Phase 3
0.6923	Remote Similarity	NPD3326	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD5937	Approved
0.692	Remote Similarity	NPD5482	Discontinued
0.6919	Remote Similarity	NPD1573	Approved
0.6919	Remote Similarity	NPD1575	Approved
0.6916	Remote Similarity	NPD2121	Clinical (unspecified phase)
0.691	Remote Similarity	NPD6790	Phase 1
0.6895	Remote Similarity	NPD3916	Clinical (unspecified phase)
0.6895	Remote Similarity	NPD3917	Approved
0.6895	Remote Similarity	NPD4852	Phase 2
0.6895	Remote Similarity	NPD3918	Approved
0.6889	Remote Similarity	NPD7547	Clinical (unspecified phase)
0.6887	Remote Similarity	NPD8395	Approved
0.6887	Remote Similarity	NPD8396	Approved
0.6886	Remote Similarity	NPD5022	Discontinued
0.6884	Remote Similarity	NPD6138	Clinical (unspecified phase)
0.6866	Remote Similarity	NPD2916	Discontinued
0.6853	Remote Similarity	NPD4958	Clinical (unspecified phase)
0.685	Remote Similarity	NPD750	Phase 2
0.6849	Remote Similarity	NPD3915	Approved
0.6847	Remote Similarity	NPD7823	Clinical (unspecified phase)
0.6847	Remote Similarity	NPD2813	Phase 3
0.6847	Remote Similarity	NPD2812	Clinical (unspecified phase)
0.6832	Remote Similarity	NPD6203	Clinical (unspecified phase)
0.683	Remote Similarity	NPD1996	Discontinued
0.6828	Remote Similarity	NPD3263	Phase 3
0.6826	Remote Similarity	NPD3960	Clinical (unspecified phase)
0.6825	Remote Similarity	NPD4848	Phase 1
0.6818	Remote Similarity	NPD5866	Approved
0.6814	Remote Similarity	NPD7414	Clinical (unspecified phase)
0.681	Remote Similarity	NPD802	Phase 2
0.6808	Remote Similarity	NPD3825	Phase 3
0.6807	Remote Similarity	NPD4558	Phase 2
0.6806	Remote Similarity	NPD2721	Clinical (unspecified phase)
0.6806	Remote Similarity	NPD3947	Discontinued
0.6806	Remote Similarity	NPD6987	Phase 1
0.6804	Remote Similarity	NPD276	Clinical (unspecified phase)
0.6802	Remote Similarity	NPD7393	Clinical (unspecified phase)
0.6798	Remote Similarity	NPD6165	Phase 2
0.6798	Remote Similarity	NPD7994	Phase 2
0.6798	Remote Similarity	NPD6164	Phase 2
0.6784	Remote Similarity	NPD6247	Clinical (unspecified phase)
0.6783	Remote Similarity	NPD8349	Phase 1
0.6777	Remote Similarity	NPD3017	Clinical (unspecified phase)
0.6777	Remote Similarity	NPD5975	Clinical (unspecified phase)
0.6776	Remote Similarity	NPD5497	Clinical (unspecified phase)
0.6773	Remote Similarity	NPD8013	Clinical (unspecified phase)
0.6773	Remote Similarity	NPD3779	Clinical (unspecified phase)
0.6771	Remote Similarity	NPD4989	Phase 2
0.677	Remote Similarity	NPD6995	Phase 1
0.677	Remote Similarity	NPD8356	Approved
0.6765	Remote Similarity	NPD5473	Discontinued
0.6763	Remote Similarity	NPD4426	Clinical (unspecified phase)
0.6762	Remote Similarity	NPD6569	Phase 2
0.6762	Remote Similarity	NPD3404	Approved
0.6762	Remote Similarity	NPD4922	Phase 2
0.6751	Remote Similarity	NPD3962	Phase 2
0.6751	Remote Similarity	NPD3959	Phase 2
0.675	Remote Similarity	NPD1325	Approved
0.675	Remote Similarity	NPD1326	Approved
0.6746	Remote Similarity	NPD1213	Phase 3
0.6743	Remote Similarity	NPD8493	Clinical (unspecified phase)
0.6742	Remote Similarity	NPD7069	Discontinued
0.6739	Remote Similarity	NPD5479	Discontinued
0.6738	Remote Similarity	NPD7853	Phase 2
0.6734	Remote Similarity	NPD7925	Phase 2
0.6734	Remote Similarity	NPD7924	Phase 2
0.6728	Remote Similarity	NPD6323	Clinical (unspecified phase)
0.6727	Remote Similarity	NPD7809	Clinical (unspecified phase)
0.6725	Remote Similarity	NPD8430	Approved
0.6717	Remote Similarity	NPD1631	Approved
0.6716	Remote Similarity	NPD4079	Approved
0.6716	Remote Similarity	NPD4076	Approved
0.6715	Remote Similarity	NPD4889	Approved
0.6714	Remote Similarity	NPD2336	Approved
0.6714	Remote Similarity	NPD5592	Clinical (unspecified phase)
0.6712	Remote Similarity	NPD3794	Approved
0.6712	Remote Similarity	NPD3795	Approved
0.6712	Remote Similarity	NPD7947	Clinical (unspecified phase)
0.6708	Remote Similarity	NPD3809	Discontinued
0.67	Remote Similarity	NPD2844	Phase 3
0.6698	Remote Similarity	NPD7619	Phase 3
0.6698	Remote Similarity	NPD8248	Clinical (unspecified phase)
0.6698	Remote Similarity	NPD7618	Phase 3
0.6697	Remote Similarity	NPD7010	Phase 3
0.6697	Remote Similarity	NPD2715	Clinical (unspecified phase)
0.6697	Remote Similarity	NPD5067	Phase 2
0.6697	Remote Similarity	NPD7927	Clinical (unspecified phase)
0.6697	Remote Similarity	NPD5066	Phase 2
0.6696	Remote Similarity	NPD6160	Clinical (unspecified phase)
0.6683	Remote Similarity	NPD926	Approved
0.6683	Remote Similarity	NPD5445	Approved
0.6683	Remote Similarity	NPD1568	Clinical (unspecified phase)
0.6683	Remote Similarity	NPD925	Approved
0.6682	Remote Similarity	NPD5513	Phase 2
0.6682	Remote Similarity	NPD3757	Clinical (unspecified phase)
0.668	Remote Similarity	NPD6456	Discontinued
0.6667	Remote Similarity	NPD6752	Phase 1
0.6667	Remote Similarity	NPD5017	Discontinued
0.6667	Remote Similarity	NPD3506	Approved
0.6667	Remote Similarity	NPD6753	Phase 1
0.6667	Remote Similarity	NPD3354	Phase 2
0.6667	Remote Similarity	NPD3505	Approved
0.6651	Remote Similarity	NPD3961	Discontinued
0.665	Remote Similarity	NPD4736	Clinical (unspecified phase)
0.6649	Remote Similarity	NPD9706	Clinical (unspecified phase)
0.6639	Remote Similarity	NPD6525	Clinical (unspecified phase)
0.6638	Remote Similarity	NPD7269	Clinical (unspecified phase)
0.6637	Remote Similarity	NPD3945	Discontinued
0.6623	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.6622	Remote Similarity	NPD5475	Discontinued
0.6622	Remote Similarity	NPD6710	Phase 3
0.6621	Remote Similarity	NPD8403	Phase 1
0.6621	Remote Similarity	NPD2317	Clinical (unspecified phase)
0.6618	Remote Similarity	NPD4075	Phase 2
0.6618	Remote Similarity	NPD5522	Clinical (unspecified phase)
0.6617	Remote Similarity	NPD6872	Clinical (unspecified phase)
0.6617	Remote Similarity	NPD5069	Clinical (unspecified phase)
0.6609	Remote Similarity	NPD4885	Approved
0.6609	Remote Similarity	NPD5151	Clinical (unspecified phase)
0.6609	Remote Similarity	NPD8289	Discontinued
0.6606	Remote Similarity	NPD1600	Suspended
0.6606	Remote Similarity	NPD4886	Phase 2
0.6605	Remote Similarity	NPD7204	Clinical (unspecified phase)
0.6603	Remote Similarity	NPD706	Phase 1
0.6602	Remote Similarity	NPD1291	Clinical (unspecified phase)
0.6593	Remote Similarity	NPD5632	Approved
0.6593	Remote Similarity	NPD7395	Discontinued
0.6592	Remote Similarity	NPD8097	Phase 3
0.6592	Remote Similarity	NPD8096	Phase 3
0.6592	Remote Similarity	NPD2411	Approved

Structure

NPC175602 OpenBabel07101718242D 23 27 0 0 0 0 0 0 0 0999 V2000 1.7464 2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6124 0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6124 2.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4784 1.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9434 3.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0561 3.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 2.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7954 0.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7464 1.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4691 3.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4784 2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8804 0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9952 2.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 1.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 2.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6863 1.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4066 0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2182 0.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 2.9613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5873 1.8516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3445 2.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7052 -0.1206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 9 2 0 0 0 0 2 4 2 0 0 0 0 2 9 1 0 0 0 0 3 11 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 19 1 0 0 0 0 7 10 2 0 0 0 0 7 20 1 0 0 0 0 8 12 2 0 0 0 0 8 21 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 11 22 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 15 1 0 0 0 0 14 17 2 0 0 0 0 15 19 2 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 23 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL457826
ZINC

Physicochemical Properties

Molecular Weight:	303.10
ALogP:	-1.6275
MLogP:	2.89
XLogP:	1.962
# Rotatable Bonds:	2
Polar Surface Area:	81.24
# H-Bond Aceptor:	4
# H-Bond Donor:	3
# Rings:	5
# Heavy Atoms:	23

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