NPASS Natural Product

Natural Product: NPC149014

Natural Product ID:	NPC149014
Common Name:	Kuanoniamine C
IUPAC Name:
Synonyms:	Kuanoniamine C
Molecular Formula:	C21H18N4OS
Standard InCHIKey:	OHRPKUDJMIHDKF-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C21H18N4OS/c1-2-16(26)22-9-8-14-18-17-13(12-5-3-4-6-15(12)25-18)7-10-23-19(17)20-21(14)27-11-24-20/h3-7,10-11,25H,2,8-9H2,1H3,(H,22,26)
Canonical SMILES:	CCC(=NCCc1c2scnc2c2c3c1[nH]c1ccccc1c3ccn2)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
NPO33149	oceanapia sp.	Species	Phloeodictyidae	Eukaryota		Micronesia		PMID[9514015]

Biological Activity

Activity Type	# Activity
GI50	59
IC50	2
Others	5

Activity Type	# Activity
Cell Line	61
Individual Protein	2
Organism	2
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT373	Cell Line	SK-MEL-5	Homo sapiens	GI50		2722.7	nM	17190448
NPT139	Cell Line	HT-29	Homo sapiens	GI50		540.75	nM	26383126
NPT370	Cell Line	NCI-H23	Homo sapiens	GI50		1923.09	nM	17346077
NPT456	Cell Line	OVCAR-4	Homo sapiens	GI50		30408.85	nM	10869195
NPT83	Cell Line	MCF7	Homo sapiens	GI50		22.34	nM	25699574
NPT376	Cell Line	A498	Homo sapiens	GI50		988.55	nM	20039640
NPT393	Cell Line	HCT-116	Homo sapiens	GI50		582.1	nM	24479418
NPT382	Cell Line	OVCAR-5	Homo sapiens	GI50		8165.82	nM	19267453
NPT111	Cell Line	K562	Homo sapiens	GI50		1531.09	nM	12027740
NPT398	Cell Line	UACC-62	Homo sapiens	GI50		1625.55	nM	22672981
NPT369	Cell Line	ACHN	Homo sapiens	GI50		583.45	nM	19902967
NPT458	Cell Line	IGROV-1	Homo sapiens	GI50		2805.43	nM	15501030
NPT455	Cell Line	NCI-H522	Homo sapiens	GI50		2624.22	nM	23886691
NPT306	Cell Line	PC-3	Homo sapiens	GI50		1412.54	nM	24818517
NPT146	Cell Line	SK-OV-3	Homo sapiens	GI50		12218	nM	4851320
NPT1315	Individual Protein	Adenosine A1 receptor	Rattus norvegicus	Activity	=	34	%	10.6019/CHEMBL1201861
NPT1316	Individual Protein	Adenosine A2a receptor	Rattus norvegicus	Activity	=	43	%	10.6019/CHEMBL1201861
NPT391	Cell Line	HCC 2998	Homo sapiens	GI50		691.83	nM	23792316
NPT368	Cell Line	SN12C	Homo sapiens	GI50		724.44	nM	24015327
NPT116	Cell Line	HL-60	Homo sapiens	GI50		845.28	nM	24904967
NPT308	Cell Line	CAKI-1	Homo sapiens	GI50		5741.16	nM	18841906
NPT380	Cell Line	U-251	Homo sapiens	GI50		1406.05	nM	23445405
NPT165	Cell Line	HeLa	Homo sapiens	IC50	=	5.1	ug/ml	10.6019/CHEMBL1201861
NPT379	Cell Line	HOP-62	Homo sapiens	GI50		2944.42	nM	PubChem BioAssay data set
NPT403	Cell Line	UACC-257	Homo sapiens	GI50		5997.91	nM	12662097
NPT395	Cell Line	SF-268	Homo sapiens	GI50		1448.77	nM	19093848
NPT112	Cell Line	MOLT-4	Homo sapiens	GI50		1396.37	nM	15165133
NPT406	Cell Line	RXF 393	Homo sapiens	GI50		4159.11	nM	12880316
NPT170	Cell Line	SK-MEL-28	Homo sapiens	GI50		2558.59	nM	23985009
NPT776	Organism	Spodoptera littoralis	Spodoptera littoralis	LC50	=	156	ppm	17629263
NPT375	Cell Line	Malme-3M	Homo sapiens	GI50		2624.22	nM	PubChem BioAssay data set
NPT394	Cell Line	EKVX	Homo sapiens	GI50		5223.96	nM	23398362
NPT407	Cell Line	COLO 205	Homo sapiens	GI50		1448.77	nM	8864241
NPT396	Cell Line	T47D	Homo sapiens	GI50		6745.28	nM	PubChem BioAssay data set
NPT381	Cell Line	OVCAR-8	Homo sapiens	GI50		3280.95	nM	17896816
NPT399	Cell Line	SF-295	Homo sapiens	GI50		1119.44	nM	26508549
NPT384	Cell Line	TK-10	Homo sapiens	GI50		6324.12	nM	25136754
NPT386	Cell Line	KM12	Homo sapiens	GI50		2333.46	nM	23957453
NPT378	Cell Line	NCI/ADR-RES	Homo sapiens	GI50		4988.84	nM	25798528
NPT457	Cell Line	BT-549	Homo sapiens	GI50		2691.53	nM	15711537
NPT389	Cell Line	RPMI-8226	Homo sapiens	GI50		400.87	nM	15711537
NPT401	Cell Line	786-0	Homo sapiens	GI50		790.68	nM	DrugMatrix in vitro pharmacology data
NPT397	Cell Line	NCI-H460	Homo sapiens	GI50		1161.45	nM	22393119
NPT390	Cell Line	LOX IMVI	Homo sapiens	GI50		1049.54	nM	26331426
NPT372	Cell Line	HOP-92	Homo sapiens	GI50		5741.16	nM	14987066
NPT388	Cell Line	NCI-H322M	Homo sapiens	GI50		1374.04	nM	19874044
NPT323	Cell Line	SW-620	Homo sapiens	GI50		1183.04	nM	18590939
NPT147	Cell Line	SK-MEL-2	Homo sapiens	GI50		43151.91	nM	20585132
NPT374	Cell Line	SF-539	Homo sapiens	GI50		1064.14	nM	20585132
NPT377	Cell Line	OVCAR-3	Homo sapiens	GI50		10519.62	nM	20619938
NPT400	Cell Line	MDA-MB-435	Homo sapiens	GI50		2259.44	nM	18198840
NPT81	Cell Line	A549	Homo sapiens	GI50		770.9	nM	15104516
NPT367	Cell Line	MDA-N	Homo sapiens	GI50		324.34	nM	18725180
NPT148	Cell Line	HCT-15	Homo sapiens	GI50		2506.11	nM	18183025
NPT392	Cell Line	SNB-75	Homo sapiens	GI50		6886.52	nM	20799251
NPT371	Cell Line	UO-31	Homo sapiens	GI50		529.66	nM	3373220
NPT2103	Cell Line	MONO-MAC-6	Homo sapiens	IC50	=	1.2	ug/ml	25136911
NPT90	Cell Line	DU-145	Homo sapiens	GI50		602.56	nM	10924166
NPT404	Cell Line	CCRF-CEM	Homo sapiens	GI50		2857.59	nM	15270577
NPT387	Cell Line	M14	Homo sapiens	GI50		2728.98	nM	16499322
NPT2	Others	Unspecified		Activity	=	39	%	17958396
NPT176	Organism	Artemia salina	Artemia salina	LC50	=	37	ug/ml	17958396
NPT405	Cell Line	NCI-H226	Homo sapiens	GI50		909.91	nM	18543965
NPT402	Cell Line	Hs-578T	Homo sapiens	GI50		368.13	nM	18590312
NPT383	Cell Line	SNB-19	Homo sapiens	GI50		4355.12	nM	18327911
NPT82	Cell Line	MDA-MB-231	Homo sapiens	GI50		4017.91	nM	18163588

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 NPC149014 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	681
0.1-0.2	9502
0.2-0.3	15075
0.3-0.4	2666
0.4-0.5	1400
0.5-0.6	1201
0.6-0.7	349
0.7-0.8	7
0.8-0.85	0
0.85-0.9	4
0.9-0.95	0
0.95-1	4

Similarity Score	Similarity Level	Natural Product ID
0.9948	High Similarity	NPC173344
0.9847	High Similarity	NPC216221
0.9796	High Similarity	NPC77022
0.9536	High Similarity	NPC147810
0.8945	High Similarity	NPC66699
0.8894	High Similarity	NPC175916
0.8861	High Similarity	NPC193370
0.8812	High Similarity	NPC124636
0.7304	Intermediate Similarity	NPC164228
0.7192	Intermediate Similarity	NPC297034
0.7092	Intermediate Similarity	NPC161108
0.7015	Intermediate Similarity	NPC317105
0.7005	Intermediate Similarity	NPC325903
0.7	Intermediate Similarity	NPC215584
0.7	Intermediate Similarity	NPC44773
0.699	Remote Similarity	NPC280852
0.6961	Remote Similarity	NPC91895
0.6901	Remote Similarity	NPC103119
0.6901	Remote Similarity	NPC255909
0.6888	Remote Similarity	NPC179787
0.6888	Remote Similarity	NPC201380
0.6881	Remote Similarity	NPC265576
0.6869	Remote Similarity	NPC216713
0.6853	Remote Similarity	NPC321911
0.6837	Remote Similarity	NPC63545
0.6807	Remote Similarity	NPC24802
0.6806	Remote Similarity	NPC272458
0.6802	Remote Similarity	NPC471957
0.6802	Remote Similarity	NPC470111
0.6802	Remote Similarity	NPC469811
0.6796	Remote Similarity	NPC194411
0.6794	Remote Similarity	NPC248454
0.6782	Remote Similarity	NPC474791
0.6779	Remote Similarity	NPC471579
0.6763	Remote Similarity	NPC201634
0.6734	Remote Similarity	NPC40070
0.6733	Remote Similarity	NPC236711
0.6716	Remote Similarity	NPC470203
0.6716	Remote Similarity	NPC476219
0.6716	Remote Similarity	NPC225018
0.6714	Remote Similarity	NPC467063
0.6713	Remote Similarity	NPC231536
0.6712	Remote Similarity	NPC469308
0.6701	Remote Similarity	NPC314372
0.67	Remote Similarity	NPC135141
0.67	Remote Similarity	NPC92796
0.67	Remote Similarity	NPC56765
0.6699	Remote Similarity	NPC37423
0.6699	Remote Similarity	NPC275305
0.6683	Remote Similarity	NPC478184
0.6683	Remote Similarity	NPC478182
0.6682	Remote Similarity	NPC272483
0.6667	Remote Similarity	NPC122141
0.6667	Remote Similarity	NPC163055
0.6667	Remote Similarity	NPC470204
0.6667	Remote Similarity	NPC475288
0.6637	Remote Similarity	NPC166492
0.6637	Remote Similarity	NPC473362
0.6635	Remote Similarity	NPC68354
0.6633	Remote Similarity	NPC88121
0.6617	Remote Similarity	NPC470233
0.6617	Remote Similarity	NPC470823
0.6605	Remote Similarity	NPC49051
0.6605	Remote Similarity	NPC15102
0.6604	Remote Similarity	NPC176199
0.6604	Remote Similarity	NPC215795
0.6602	Remote Similarity	NPC90723
0.6599	Remote Similarity	NPC190296
0.6598	Remote Similarity	NPC314102
0.6598	Remote Similarity	NPC251722
0.6584	Remote Similarity	NPC469763
0.6584	Remote Similarity	NPC469786
0.6584	Remote Similarity	NPC200214
0.6584	Remote Similarity	NPC73952
0.6584	Remote Similarity	NPC469765
0.6584	Remote Similarity	NPC469760
0.6584	Remote Similarity	NPC259644
0.6584	Remote Similarity	NPC25008
0.6582	Remote Similarity	NPC284635
0.6575	Remote Similarity	NPC324149
0.6567	Remote Similarity	NPC53947
0.6567	Remote Similarity	NPC148592
0.6567	Remote Similarity	NPC24678
0.6567	Remote Similarity	NPC105818
0.6564	Remote Similarity	NPC169433
0.6557	Remote Similarity	NPC59269
0.6552	Remote Similarity	NPC211572
0.6552	Remote Similarity	NPC80597
0.6552	Remote Similarity	NPC70922
0.6552	Remote Similarity	NPC212376
0.6552	Remote Similarity	NPC75540
0.6544	Remote Similarity	NPC317030
0.6538	Remote Similarity	NPC56233
0.6537	Remote Similarity	NPC206819
0.6537	Remote Similarity	NPC318065
0.6537	Remote Similarity	NPC293487
0.6524	Remote Similarity	NPC82331
0.6516	Remote Similarity	NPC294693
0.6515	Remote Similarity	NPC320863
0.6512	Remote Similarity	NPC48938
0.6509	Remote Similarity	NPC474958
0.6507	Remote Similarity	NPC63751
0.6505	Remote Similarity	NPC229173
0.6504	Remote Similarity	NPC39092
0.65	Remote Similarity	NPC288838
0.6498	Remote Similarity	NPC474707
0.6497	Remote Similarity	NPC115611
0.6488	Remote Similarity	NPC286427
0.6486	Remote Similarity	NPC128244
0.6484	Remote Similarity	NPC95783
0.6479	Remote Similarity	NPC157583
0.6476	Remote Similarity	NPC475070
0.6471	Remote Similarity	NPC476297
0.6471	Remote Similarity	NPC19170
0.6468	Remote Similarity	NPC204565
0.6463	Remote Similarity	NPC477111
0.6463	Remote Similarity	NPC314957
0.6459	Remote Similarity	NPC478183
0.6457	Remote Similarity	NPC229332
0.6456	Remote Similarity	NPC41257
0.645	Remote Similarity	NPC285731
0.645	Remote Similarity	NPC159856
0.6439	Remote Similarity	NPC469785
0.6439	Remote Similarity	NPC51054
0.6438	Remote Similarity	NPC65215
0.6438	Remote Similarity	NPC250835
0.6438	Remote Similarity	NPC173028
0.6429	Remote Similarity	NPC201700
0.6422	Remote Similarity	NPC62749
0.6414	Remote Similarity	NPC469783
0.6414	Remote Similarity	NPC469780
0.6414	Remote Similarity	NPC469761
0.6414	Remote Similarity	NPC469784
0.6414	Remote Similarity	NPC469767
0.6414	Remote Similarity	NPC469768
0.6414	Remote Similarity	NPC469779
0.6411	Remote Similarity	NPC274229
0.6408	Remote Similarity	NPC216643
0.6408	Remote Similarity	NPC469762
0.6406	Remote Similarity	NPC108011
0.6394	Remote Similarity	NPC478185
0.639	Remote Similarity	NPC297862
0.6389	Remote Similarity	NPC233936
0.6389	Remote Similarity	NPC191415
0.6386	Remote Similarity	NPC21605
0.6384	Remote Similarity	NPC167710
0.6383	Remote Similarity	NPC476041
0.6383	Remote Similarity	NPC304926
0.6382	Remote Similarity	NPC469766
0.6381	Remote Similarity	NPC160105
0.6381	Remote Similarity	NPC474561
0.6381	Remote Similarity	NPC49954
0.6377	Remote Similarity	NPC475990
0.6377	Remote Similarity	NPC474880
0.6377	Remote Similarity	NPC221786
0.6376	Remote Similarity	NPC477113
0.6376	Remote Similarity	NPC308931
0.6376	Remote Similarity	NPC99939
0.6375	Remote Similarity	NPC153467
0.6368	Remote Similarity	NPC86288
0.6368	Remote Similarity	NPC195314
0.6364	Remote Similarity	NPC110126
0.6364	Remote Similarity	NPC73767
0.6364	Remote Similarity	NPC311276
0.6364	Remote Similarity	NPC194640
0.6364	Remote Similarity	NPC88097
0.6356	Remote Similarity	NPC34837
0.6356	Remote Similarity	NPC473310
0.6352	Remote Similarity	NPC75726
0.6352	Remote Similarity	NPC110602
0.6352	Remote Similarity	NPC31385
0.6351	Remote Similarity	NPC216550
0.635	Remote Similarity	NPC20144
0.6347	Remote Similarity	NPC94752
0.6345	Remote Similarity	NPC84911
0.6345	Remote Similarity	NPC105127
0.6343	Remote Similarity	NPC24864
0.634	Remote Similarity	NPC251936
0.6338	Remote Similarity	NPC472123
0.6332	Remote Similarity	NPC88115
0.633	Remote Similarity	NPC284678
0.633	Remote Similarity	NPC472294
0.6329	Remote Similarity	NPC469897
0.6329	Remote Similarity	NPC129721
0.6326	Remote Similarity	NPC237188
0.6326	Remote Similarity	NPC151939
0.6324	Remote Similarity	NPC33421
0.6323	Remote Similarity	NPC326422
0.6323	Remote Similarity	NPC474177
0.6321	Remote Similarity	NPC97343
0.6321	Remote Similarity	NPC474897
0.6321	Remote Similarity	NPC32534
0.6316	Remote Similarity	NPC282231
0.6313	Remote Similarity	NPC307191
0.6311	Remote Similarity	NPC38736
0.6298	Remote Similarity	NPC477591
0.6295	Remote Similarity	NPC133366
0.6294	Remote Similarity	NPC29886
0.6294	Remote Similarity	NPC96102
0.6294	Remote Similarity	NPC261195

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC149014 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	350
0.1-0.2	970
0.2-0.3	1328
0.3-0.4	2493
0.4-0.5	1974
0.5-0.6	1607
0.6-0.7	421
0.7-0.8	18
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
0.757	Intermediate Similarity	NPD2815	Clinical (unspecified phase)
0.7327	Intermediate Similarity	NPD3348	Phase 2
0.7318	Intermediate Similarity	NPD7195	Clinical (unspecified phase)
0.7248	Intermediate Similarity	NPD4865	Approved
0.7163	Intermediate Similarity	NPD5828	Phase 2
0.7157	Intermediate Similarity	NPD1647	Phase 1
0.7157	Intermediate Similarity	NPD1648	Phase 1
0.7123	Intermediate Similarity	NPD7127	Clinical (unspecified phase)
0.7108	Intermediate Similarity	NPD3859	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD2717	Phase 2
0.7065	Intermediate Similarity	NPD2720	Phase 1
0.7065	Intermediate Similarity	NPD2719	Clinical (unspecified phase)
0.7064	Intermediate Similarity	NPD3015	Discontinued
0.7014	Intermediate Similarity	NPD7394	Phase 2
0.7013	Intermediate Similarity	NPD7540	Clinical (unspecified phase)
0.701	Intermediate Similarity	NPD3609	Approved
0.701	Intermediate Similarity	NPD3610	Approved
0.7	Intermediate Similarity	NPD6610	Clinical (unspecified phase)
0.6996	Remote Similarity	NPD3843	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD4547	Phase 3
0.6971	Remote Similarity	NPD6277	Clinical (unspecified phase)
0.6955	Remote Similarity	NPD4886	Phase 2
0.6905	Remote Similarity	NPD5106	Approved
0.6905	Remote Similarity	NPD5105	Approved
0.6884	Remote Similarity	NPD1597	Phase 1
0.6881	Remote Similarity	NPD1853	Clinical (unspecified phase)
0.6881	Remote Similarity	NPD5315	Discontinued
0.6875	Remote Similarity	NPD4181	Approved
0.6854	Remote Similarity	NPD5590	Clinical (unspecified phase)
0.6835	Remote Similarity	NPD6224	Clinical (unspecified phase)
0.6829	Remote Similarity	NPD4779	Clinical (unspecified phase)
0.6829	Remote Similarity	NPD2390	Clinical (unspecified phase)
0.6821	Remote Similarity	NPD1918	Clinical (unspecified phase)
0.681	Remote Similarity	NPD4050	Phase 1
0.68	Remote Similarity	NPD976	Approved
0.68	Remote Similarity	NPD975	Approved
0.68	Remote Similarity	NPD977	Approved
0.6779	Remote Similarity	NPD4128	Approved
0.6776	Remote Similarity	NPD2310	Clinical (unspecified phase)
0.6765	Remote Similarity	NPD3323	Discontinued
0.6758	Remote Similarity	NPD5462	Discontinued
0.6751	Remote Similarity	NPD1683	Approved
0.675	Remote Similarity	NPD2837	Discontinued
0.6748	Remote Similarity	NPD2640	Approved
0.6748	Remote Similarity	NPD2641	Approved
0.6746	Remote Similarity	NPD2771	Approved
0.6744	Remote Similarity	NPD8110	Clinical (unspecified phase)
0.6739	Remote Similarity	NPD7423	Phase 2
0.6735	Remote Similarity	NPD3401	Clinical (unspecified phase)
0.6729	Remote Similarity	NPD4902	Discontinued
0.6728	Remote Similarity	NPD3404	Approved
0.6726	Remote Similarity	NPD4472	Approved
0.6726	Remote Similarity	NPD4471	Approved
0.6717	Remote Similarity	NPD1661	Suspended
0.6716	Remote Similarity	NPD6285	Phase 2
0.6713	Remote Similarity	NPD5145	Clinical (unspecified phase)
0.6712	Remote Similarity	NPD4318	Clinical (unspecified phase)
0.6698	Remote Similarity	NPD3961	Discontinued
0.6697	Remote Similarity	NPD5428	Discontinued
0.6696	Remote Similarity	NPD6957	Approved
0.6696	Remote Similarity	NPD6958	Approved
0.6683	Remote Similarity	NPD4374	Clinical (unspecified phase)
0.6682	Remote Similarity	NPD6132	Phase 1
0.6682	Remote Similarity	NPD1235	Phase 3
0.6667	Remote Similarity	NPD6044	Discontinued
0.6667	Remote Similarity	NPD6816	Phase 3
0.6667	Remote Similarity	NPD5904	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD5021	Discontinued
0.6652	Remote Similarity	NPD3469	Phase 3
0.6651	Remote Similarity	NPD4615	Phase 2
0.6651	Remote Similarity	NPD2409	Clinical (unspecified phase)
0.665	Remote Similarity	NPD4509	Discontinued
0.665	Remote Similarity	NPD5744	Clinical (unspecified phase)
0.6637	Remote Similarity	NPD2735	Clinical (unspecified phase)
0.6636	Remote Similarity	NPD7027	Phase 3
0.6635	Remote Similarity	NPD3505	Approved
0.6635	Remote Similarity	NPD3506	Approved
0.6635	Remote Similarity	NPD6203	Clinical (unspecified phase)
0.6635	Remote Similarity	NPD5412	Discontinued
0.6634	Remote Similarity	NPD2385	Clinical (unspecified phase)
0.6623	Remote Similarity	NPD6711	Approved
0.662	Remote Similarity	NPD3486	Clinical (unspecified phase)
0.6619	Remote Similarity	NPD5065	Approved
0.6606	Remote Similarity	NPD4473	Clinical (unspecified phase)
0.6605	Remote Similarity	NPD5439	Approved
0.6605	Remote Similarity	NPD5438	Approved
0.6604	Remote Similarity	NPD4079	Approved
0.6604	Remote Similarity	NPD4076	Approved
0.66	Remote Similarity	NPD3100	Discontinued
0.6599	Remote Similarity	NPD4637	Clinical (unspecified phase)
0.6595	Remote Similarity	NPD5409	Clinical (unspecified phase)
0.6588	Remote Similarity	NPD6375	Clinical (unspecified phase)
0.6585	Remote Similarity	NPD1404	Approved
0.6585	Remote Similarity	NPD1403	Approved
0.6583	Remote Similarity	NPD7469	Discontinued
0.6583	Remote Similarity	NPD1528	Clinical (unspecified phase)
0.6577	Remote Similarity	NPD4470	Phase 2
0.6574	Remote Similarity	NPD3378	Clinical (unspecified phase)
0.6569	Remote Similarity	NPD6969	Phase 2
0.6569	Remote Similarity	NPD6968	Phase 2
0.6567	Remote Similarity	NPD2021	Discontinued
0.6566	Remote Similarity	NPD649	Clinical (unspecified phase)
0.6564	Remote Similarity	NPD5864	Phase 2
0.656	Remote Similarity	NPD2818	Discontinued
0.6558	Remote Similarity	NPD6178	Phase 3
0.6558	Remote Similarity	NPD4957	Phase 2
0.6557	Remote Similarity	NPD7111	Discontinued
0.6555	Remote Similarity	NPD5436	Phase 1
0.6547	Remote Similarity	NPD1315	Clinical (unspecified phase)
0.6544	Remote Similarity	NPD8431	Approved
0.6542	Remote Similarity	NPD7867	Phase 1
0.6538	Remote Similarity	NPD2639	Approved
0.6538	Remote Similarity	NPD2642	Approved
0.6537	Remote Similarity	NPD3433	Clinical (unspecified phase)
0.653	Remote Similarity	NPD3419	Clinical (unspecified phase)
0.6528	Remote Similarity	NPD4298	Clinical (unspecified phase)
0.6524	Remote Similarity	NPD5934	Clinical (unspecified phase)
0.6517	Remote Similarity	NPD2430	Phase 2
0.6516	Remote Similarity	NPD4999	Phase 3
0.6516	Remote Similarity	NPD4998	Phase 3
0.6515	Remote Similarity	NPD2006	Phase 2
0.6509	Remote Similarity	NPD4075	Phase 2
0.6507	Remote Similarity	NPD4639	Approved
0.6507	Remote Similarity	NPD4640	Approved
0.6507	Remote Similarity	NPD4638	Approved
0.6507	Remote Similarity	NPD2185	Clinical (unspecified phase)
0.6502	Remote Similarity	NPD2012	Clinical (unspecified phase)
0.6498	Remote Similarity	NPD5094	Approved
0.6495	Remote Similarity	NPD6595	Phase 3
0.6494	Remote Similarity	NPD6749	Phase 1
0.6493	Remote Similarity	NPD4112	Clinical (unspecified phase)
0.6485	Remote Similarity	NPD2172	Phase 1
0.6481	Remote Similarity	NPD7564	Discontinued
0.6478	Remote Similarity	NPD4051	Discontinued
0.6468	Remote Similarity	NPD5270	Discontinued
0.6465	Remote Similarity	NPD1722	Approved
0.6462	Remote Similarity	NPD1255	Approved
0.6462	Remote Similarity	NPD1253	Approved
0.6462	Remote Similarity	NPD1256	Approved
0.6462	Remote Similarity	NPD1254	Approved
0.6457	Remote Similarity	NPD3830	Phase 1
0.6455	Remote Similarity	NPD4949	Discontinued
0.6452	Remote Similarity	NPD5615	Phase 2
0.645	Remote Similarity	NPD4614	Clinical (unspecified phase)
0.6449	Remote Similarity	NPD3341	Clinical (unspecified phase)
0.6447	Remote Similarity	NPD2849	Clinical (unspecified phase)
0.6447	Remote Similarity	NPD6156	Clinical (unspecified phase)
0.6445	Remote Similarity	NPD754	Clinical (unspecified phase)
0.6444	Remote Similarity	NPD6149	Phase 2
0.6444	Remote Similarity	NPD6352	Phase 2
0.6441	Remote Similarity	NPD7618	Phase 3
0.6441	Remote Similarity	NPD7619	Phase 3
0.6438	Remote Similarity	NPD4992	Phase 1
0.6435	Remote Similarity	NPD2391	Clinical (unspecified phase)
0.6432	Remote Similarity	NPD6139	Clinical (unspecified phase)
0.6432	Remote Similarity	NPD2751	Phase 1
0.6432	Remote Similarity	NPD2406	Clinical (unspecified phase)
0.6429	Remote Similarity	NPD5885	Approved
0.6429	Remote Similarity	NPD6468	Clinical (unspecified phase)
0.6429	Remote Similarity	NPD6469	Phase 3
0.6429	Remote Similarity	NPD45	Approved
0.6429	Remote Similarity	NPD6554	Approved
0.6425	Remote Similarity	NPD6577	Clinical (unspecified phase)
0.6422	Remote Similarity	NPD4426	Clinical (unspecified phase)
0.6419	Remote Similarity	NPD1928	Discontinued
0.6419	Remote Similarity	NPD6838	Clinical (unspecified phase)
0.6416	Remote Similarity	NPD917	Clinical (unspecified phase)
0.6414	Remote Similarity	NPD6615	Clinical (unspecified phase)
0.6414	Remote Similarity	NPD7135	Phase 2
0.6413	Remote Similarity	NPD7023	Clinical (unspecified phase)
0.6396	Remote Similarity	NPD2058	Phase 2
0.6396	Remote Similarity	NPD3485	Clinical (unspecified phase)
0.6396	Remote Similarity	NPD2059	Approved
0.6396	Remote Similarity	NPD2057	Approved
0.6395	Remote Similarity	NPD7264	Clinical (unspecified phase)
0.6394	Remote Similarity	NPD6771	Discontinued
0.6389	Remote Similarity	NPD4649	Clinical (unspecified phase)
0.6389	Remote Similarity	NPD5806	Clinical (unspecified phase)
0.6384	Remote Similarity	NPD1218	Approved
0.6384	Remote Similarity	NPD1219	Approved
0.6384	Remote Similarity	NPD6664	Approved
0.6379	Remote Similarity	NPD3265	Phase 1
0.6377	Remote Similarity	NPD5418	Discontinued
0.6376	Remote Similarity	NPD3279	Phase 2
0.6373	Remote Similarity	NPD715	Phase 3
0.6368	Remote Similarity	NPD5413	Phase 2
0.6367	Remote Similarity	NPD7052	Phase 1
0.6364	Remote Similarity	NPD786	Approved
0.6359	Remote Similarity	NPD3385	Approved
0.6352	Remote Similarity	NPD3330	Phase 1
0.6351	Remote Similarity	NPD4320	Clinical (unspecified phase)
0.6351	Remote Similarity	NPD5069	Clinical (unspecified phase)
0.635	Remote Similarity	NPD4510	Discontinued
0.6349	Remote Similarity	NPD6170	Phase 2
0.6347	Remote Similarity	NPD7026	Phase 2
0.6347	Remote Similarity	NPD2793	Discontinued
0.6346	Remote Similarity	NPD6454	Clinical (unspecified phase)
0.6343	Remote Similarity	NPD1873	Clinical (unspecified phase)
0.634	Remote Similarity	NPD1556	Clinical (unspecified phase)
0.6339	Remote Similarity	NPD3127	Clinical (unspecified phase)

Structure

NPC149014 OpenBabel07101718202D 27 31 0 0 0 0 0 0 0 0999 V2000 -1.6470 -3.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 -2.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4456 1.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3880 0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8087 1.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6935 0.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 2.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -1.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -1.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 3.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1142 1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0566 0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -3.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -2.6910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 2.8090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.6180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4197 0.0818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -4.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 16 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 12 2 0 0 0 0 6 15 2 0 0 0 0 7 10 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 11 24 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 17 2 0 0 0 0 14 18 2 0 0 0 0 14 21 1 0 0 0 0 15 25 1 0 0 0 0 16 22 2 3 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 23 2 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 27 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	397485
ChEMBL	CHEMBL463916
ZINC

Physicochemical Properties

Molecular Weight:	374.12
ALogP:	0.2177
MLogP:	3.11
XLogP:	3.45
# Rotatable Bonds:	6
Polar Surface Area:	98.64
# H-Bond Aceptor:	5
# H-Bond Donor:	2
# Rings:	5
# Heavy Atoms:	27

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