NPASS Natural Product

Natural Product: NPC309493

Natural Product ID:	NPC309493
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C28H44O4
Standard InCHIKey:	ODXLMGUHUFYBLH-YTGINPHMSA-N
Standard InCHI:	InChI=1S/C28H44O4/c1-16-15-28(32-24(16,2)3)27(6,30)23-22(31-28)14-21-19-8-7-17-13-18(29)9-11-25(17,4)20(19)10-12-26(21,23)5/h7,16,18-23,29-30H,8-15H2,1-6H3/t16-,18-,19+,20-,21-,22-,23-,25-,26-,27+,28-/m0/s1
Canonical SMILES:	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3C[C@H]3[C@@H]2[C@@](C)(O)[C@]2(O3)C[C@@H](C(O2)(C)C)C)C)C1)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Collection Location	Reference
NPO14591	Rhabdodendron amazonicum	Species	Rhabdodendraceae	Eukaryota		UNPD*
NPO639	Formica polyctena	Species	Formicidae	Eukaryota		UNPD*
NPO6809	Cailliea cinerea	NA	NA	NA		UNPD*
NPO16560	Palhinhaea cernua	Species	Lycopodiaceae	Eukaryota		UNPD*
NPO15674	Acanthosyris spinescens	Species	Cervantesiaceae	Eukaryota		UNPD*
NPO9909	Sarcophyton crassocaule	Species	Alcyoniidae	Eukaryota		UNPD*
NPO12764	Tillandsia fragrans	Species	Bromeliaceae	Eukaryota		UNPD*
NPO25278	Cystofilobasidium infirmominiatum	Species	Cystofilobasidiaceae	Eukaryota		UNPD*
NPO20404.1	Eruca vesicaria subsp. sativa	Subspecies	Brassicaceae	Eukaryota		UNPD*
NPO16617	Paepalanthus hilairei	Species	Eriocaulaceae	Eukaryota		UNPD*
NPO26508	Uvariopsis tripetala	Species	Annonaceae	Eukaryota		UNPD*
NPO13417	Campanula medium	Species	Campanulaceae	Eukaryota		UNPD*
NPO14434	Alluaudia humbertii	Species	Didiereaceae	Eukaryota		UNPD*
NPO15037	Echinops spinosissimus	Species	Asteraceae	Eukaryota		UNPD*
NPO25715	Senna siamea	Species	Fabaceae	Eukaryota		UNPD*
NPO13733	Saccharopolyspora erythraea	Species	Pseudonocardiaceae	Bacteria		UNPD*
NPO26988	Acinos thymoides	NA	NA	NA		UNPD*
NPO9314	Gouania ulmifolia	Species	Gobiesocidae	Eukaryota		UNPD*
NPO16774	Hermidium alipes	NA	NA	NA		UNPD*
NPO15428	Cheilanthes tenuifolia	Species	Pteridaceae	Eukaryota		UNPD*
NPO15773	Ecteinascidia thurstoni	Species	Perophoridae	Eukaryota		UNPD*
NPO9888	Lobophytum laevigatum	Species	Alcyoniidae	Eukaryota	Vietnam	PMID[21507644]
NPO21926	Pseudomonas aeruginosa	Species	Pseudomonadaceae	Bacteria		UNPD*
NPO14909	Artemisia caerulescens	Species	Asteraceae	Eukaryota		UNPD*
NPO16301	Ilex macropoda	Species	Aquifoliaceae	Eukaryota		UNPD*
NPO7023	Tetracera rosiflora	Species	Dilleniaceae	Eukaryota		UNPD*
NPO13577	Pieris formosa	Species	Ericaceae	Eukaryota		UNPD*
NPO15983	Udotea cyathiformis	Species	Udoteaceae	Eukaryota		UNPD*
NPO13036	Culicinomyces clavisporus	Species	Clavicipitaceae	Eukaryota		UNPD*
NPO13931	Selaginella uncinata	Species	Selaginellaceae	Eukaryota		UNPD*
NPO11365	Lecidea lithophila	Species	Lecideaceae	Eukaryota		UNPD*
NPO16206	Umbilicaria indica	Species	Umbilicariaceae	Eukaryota		UNPD*
NPO16101	Gleditsia triacanthos	Species	Fabaceae	Eukaryota		UNPD*
NPO14107	Teucrium montanum	Species	Lamiaceae	Eukaryota		UNPD*
NPO5719	Hedyotis lawsoniae	Species	Rubiaceae	Eukaryota		UNPD*
NPO10877	Humboldtia laurifolia	Species	Fabaceae	Eukaryota		UNPD*
NPO15879	Euphorbia nivulia	Species	Euphorbiaceae	Eukaryota		UNPD*
NPO73	Pseudanabaena persicina	Species	Pseudanabaenaceae	Bacteria		UNPD*
NPO16534	Pterocaulon alopecuroides	Species	Asteraceae	Eukaryota		UNPD*
NPO1655	Corydendrium parasiticum	Species	Oceaniidae	Eukaryota		UNPD*
NPO16453	Lycium cestroides	Species	Solanaceae	Eukaryota		UNPD*
NPO10443	Sloanea zuliaensis	Species	Elaeocarpaceae	Eukaryota		UNPD*
NPO2584	Monostroma fuscum	Species	Monostromataceae	Eukaryota		UNPD*
NPO13264	Alstonia lanceolifera	Species	Apocynaceae	Eukaryota		UNPD*
NPO12451	Dermocybe cinnabarina	Species	Cortinariaceae	Eukaryota		UNPD*
NPO15294	Magnolia salicifolia	Species	Magnoliaceae	Eukaryota		UNPD*
NPO5127	Cladocroce incurvata	Species	Chalinidae	Eukaryota		UNPD*
NPO12217	Buccinum undatum	Species	Buccinidae	Eukaryota		UNPD*
NPO11762	Agrimonia eupatoria	Species	Rosaceae	Eukaryota		UNPD*
NPO16740	Helipterum venustum	Species	Asteraceae	Eukaryota		UNPD*

Biological Activity

Activity Type	# Activity
IC50	3
Others	2

Activity Type	# Activity
Cell Line	3
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		FC	=	1.4		21507644
NPT2	Others	Unspecified		FC	=	2		21507644
NPT81	Cell Line	A549	Homo sapiens	IC50	>	20000	nM	21507644
NPT393	Cell Line	HCT-116	Homo sapiens	IC50	=	6900	nM	21507644
NPT116	Cell Line	HL-60	Homo sapiens	IC50	>	20000	nM	21507644

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 NPC309493 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	137
0.1-0.2	971
0.2-0.3	3327
0.3-0.4	9321
0.4-0.5	7318
0.5-0.6	4102
0.6-0.7	4149
0.7-0.8	1299
0.8-0.85	189
0.85-0.9	73
0.9-0.95	3
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9175	High Similarity	NPC475701
0.9082	High Similarity	NPC474464
0.9032	High Similarity	NPC98193
0.899	High Similarity	NPC474015
0.8958	High Similarity	NPC5358
0.8958	High Similarity	NPC216260
0.89	High Similarity	NPC226642
0.8889	High Similarity	NPC471111
0.8854	High Similarity	NPC177818
0.8835	High Similarity	NPC254255
0.883	High Similarity	NPC235126
0.883	High Similarity	NPC242419
0.8824	High Similarity	NPC247037
0.88	High Similarity	NPC181845
0.88	High Similarity	NPC26798
0.8776	High Similarity	NPC474022
0.8763	High Similarity	NPC275865
0.8725	High Similarity	NPC128133
0.8725	High Similarity	NPC42482
0.8725	High Similarity	NPC40440
0.8713	High Similarity	NPC161676
0.8713	High Similarity	NPC305423
0.8713	High Similarity	NPC470432
0.8713	High Similarity	NPC230507
0.8713	High Similarity	NPC113044
0.8713	High Similarity	NPC14704
0.8713	High Similarity	NPC283829
0.8687	High Similarity	NPC22634
0.8673	High Similarity	NPC324598
0.866	High Similarity	NPC243728
0.866	High Similarity	NPC473890
0.8627	High Similarity	NPC98696
0.8627	High Similarity	NPC476539
0.8627	High Similarity	NPC476538
0.8627	High Similarity	NPC476540
0.8627	High Similarity	NPC476541
0.8614	High Similarity	NPC474569
0.8586	High Similarity	NPC176406
0.8571	High Similarity	NPC476693
0.8571	High Similarity	NPC158088
0.8558	High Similarity	NPC477028
0.8558	High Similarity	NPC124677
0.8558	High Similarity	NPC477032
0.8558	High Similarity	NPC197231
0.8557	High Similarity	NPC207617
0.8544	High Similarity	NPC306131
0.8544	High Similarity	NPC70204
0.8544	High Similarity	NPC84956
0.8544	High Similarity	NPC475670
0.8544	High Similarity	NPC470433
0.8544	High Similarity	NPC249265
0.8544	High Similarity	NPC248746
0.8544	High Similarity	NPC477809
0.8544	High Similarity	NPC477027
0.8544	High Similarity	NPC475550
0.8544	High Similarity	NPC208383
0.8544	High Similarity	NPC95051
0.8544	High Similarity	NPC46190
0.8544	High Similarity	NPC232054
0.8544	High Similarity	NPC475333
0.8544	High Similarity	NPC477026
0.8544	High Similarity	NPC22779
0.8544	High Similarity	NPC6806
0.8544	High Similarity	NPC224098
0.8544	High Similarity	NPC73243
0.8544	High Similarity	NPC309278
0.8544	High Similarity	NPC218571
0.8544	High Similarity	NPC194207
0.8544	High Similarity	NPC102016
0.8544	High Similarity	NPC300557
0.8544	High Similarity	NPC171073
0.8544	High Similarity	NPC244086
0.8544	High Similarity	NPC150372
0.8529	High Similarity	NPC476594
0.8515	High Similarity	NPC85593
0.8515	High Similarity	NPC31430
0.8485	Intermediate Similarity	NPC282669
0.8476	Intermediate Similarity	NPC19888
0.8462	Intermediate Similarity	NPC269297
0.8462	Intermediate Similarity	NPC23808
0.8462	Intermediate Similarity	NPC477811
0.8462	Intermediate Similarity	NPC87998
0.8462	Intermediate Similarity	NPC222202
0.8462	Intermediate Similarity	NPC224314
0.8462	Intermediate Similarity	NPC141433
0.8431	Intermediate Similarity	NPC473923
0.8431	Intermediate Similarity	NPC242748
0.8431	Intermediate Similarity	NPC473476
0.8421	Intermediate Similarity	NPC159876
0.8416	Intermediate Similarity	NPC213190
0.84	Intermediate Similarity	NPC73385
0.84	Intermediate Similarity	NPC267510
0.84	Intermediate Similarity	NPC470434
0.8384	Intermediate Similarity	NPC476895
0.8381	Intermediate Similarity	NPC476547
0.8381	Intermediate Similarity	NPC475247
0.8381	Intermediate Similarity	NPC13193
0.8381	Intermediate Similarity	NPC294129
0.8381	Intermediate Similarity	NPC13190
0.837	Intermediate Similarity	NPC319238
0.8365	Intermediate Similarity	NPC476835
0.8352	Intermediate Similarity	NPC470614
0.8352	Intermediate Similarity	NPC1272
0.835	Intermediate Similarity	NPC94272
0.8333	Intermediate Similarity	NPC121566
0.8333	Intermediate Similarity	NPC476593
0.8333	Intermediate Similarity	NPC476595
0.8333	Intermediate Similarity	NPC100955
0.8333	Intermediate Similarity	NPC470885
0.8333	Intermediate Similarity	NPC475365
0.8333	Intermediate Similarity	NPC187400
0.8333	Intermediate Similarity	NPC210268
0.8333	Intermediate Similarity	NPC221562
0.8318	Intermediate Similarity	NPC477810
0.8318	Intermediate Similarity	NPC32707
0.8318	Intermediate Similarity	NPC167183
0.8317	Intermediate Similarity	NPC136816
0.8317	Intermediate Similarity	NPC272015
0.8317	Intermediate Similarity	NPC154452
0.8316	Intermediate Similarity	NPC473058
0.8302	Intermediate Similarity	NPC31896
0.8302	Intermediate Similarity	NPC244431
0.8302	Intermediate Similarity	NPC32361
0.8302	Intermediate Similarity	NPC210569
0.8302	Intermediate Similarity	NPC263359
0.8302	Intermediate Similarity	NPC112274
0.8302	Intermediate Similarity	NPC42171
0.83	Intermediate Similarity	NPC469942
0.8283	Intermediate Similarity	NPC475032
0.8283	Intermediate Similarity	NPC476893
0.8283	Intermediate Similarity	NPC475033
0.828	Intermediate Similarity	NPC474349
0.828	Intermediate Similarity	NPC474189
0.8269	Intermediate Similarity	NPC295980
0.8257	Intermediate Similarity	NPC476692
0.8257	Intermediate Similarity	NPC476691
0.8252	Intermediate Similarity	NPC309448
0.8252	Intermediate Similarity	NPC476592
0.8252	Intermediate Similarity	NPC63023
0.8252	Intermediate Similarity	NPC95243
0.8241	Intermediate Similarity	NPC477031
0.8224	Intermediate Similarity	NPC79900
0.8224	Intermediate Similarity	NPC51154
0.8224	Intermediate Similarity	NPC144068
0.8224	Intermediate Similarity	NPC178981
0.8218	Intermediate Similarity	NPC309425
0.8218	Intermediate Similarity	NPC160734
0.8218	Intermediate Similarity	NPC129372
0.8218	Intermediate Similarity	NPC476896
0.8218	Intermediate Similarity	NPC4831
0.8218	Intermediate Similarity	NPC121072
0.8218	Intermediate Similarity	NPC472023
0.8218	Intermediate Similarity	NPC21064
0.8218	Intermediate Similarity	NPC88000
0.8218	Intermediate Similarity	NPC47566
0.82	Intermediate Similarity	NPC234287
0.82	Intermediate Similarity	NPC280825
0.8191	Intermediate Similarity	NPC152808
0.8191	Intermediate Similarity	NPC293287
0.8173	Intermediate Similarity	NPC33053
0.8173	Intermediate Similarity	NPC190395
0.8173	Intermediate Similarity	NPC473469
0.8172	Intermediate Similarity	NPC124172
0.8165	Intermediate Similarity	NPC476690
0.8165	Intermediate Similarity	NPC100048
0.8155	Intermediate Similarity	NPC75608
0.8155	Intermediate Similarity	NPC470060
0.8155	Intermediate Similarity	NPC472227
0.8155	Intermediate Similarity	NPC472228
0.8155	Intermediate Similarity	NPC470059
0.8155	Intermediate Similarity	NPC93352
0.8155	Intermediate Similarity	NPC470058
0.8155	Intermediate Similarity	NPC470061
0.8155	Intermediate Similarity	NPC470064
0.8155	Intermediate Similarity	NPC470062
0.8155	Intermediate Similarity	NPC470043
0.8155	Intermediate Similarity	NPC470057
0.8148	Intermediate Similarity	NPC11548
0.8148	Intermediate Similarity	NPC477808
0.8132	Intermediate Similarity	NPC26117
0.8131	Intermediate Similarity	NPC477050
0.8131	Intermediate Similarity	NPC308140
0.8125	Intermediate Similarity	NPC477917
0.8125	Intermediate Similarity	NPC43842
0.8125	Intermediate Similarity	NPC105495
0.8119	Intermediate Similarity	NPC473790
0.8119	Intermediate Similarity	NPC7341
0.8119	Intermediate Similarity	NPC471242
0.8119	Intermediate Similarity	NPC473200
0.8113	Intermediate Similarity	NPC191439
0.8113	Intermediate Similarity	NPC103627
0.8113	Intermediate Similarity	NPC101450
0.8113	Intermediate Similarity	NPC170974
0.8105	Intermediate Similarity	NPC210658
0.8105	Intermediate Similarity	NPC161928
0.81	Intermediate Similarity	NPC76486
0.8095	Intermediate Similarity	NPC7213
0.8095	Intermediate Similarity	NPC220427
0.8091	Intermediate Similarity	NPC10366
0.8081	Intermediate Similarity	NPC275310

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC309493 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	154
0.1-0.2	1409
0.2-0.3	4108
0.3-0.4	2430
0.4-0.5	583
0.5-0.6	205
0.6-0.7	209
0.7-0.8	63
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
0.783	Intermediate Similarity	NPD6412	Phase 2
0.7732	Intermediate Similarity	NPD7524	Approved
0.7692	Intermediate Similarity	NPD3701	Clinical (unspecified phase)
0.7632	Intermediate Similarity	NPD6054	Approved
0.7632	Intermediate Similarity	NPD6059	Approved
0.7611	Intermediate Similarity	NPD7328	Approved
0.7611	Intermediate Similarity	NPD7327	Approved
0.7604	Intermediate Similarity	NPD7338	Clinical (unspecified phase)
0.7582	Intermediate Similarity	NPD7339	Approved
0.7582	Intermediate Similarity	NPD6942	Approved
0.7565	Intermediate Similarity	NPD8033	Approved
0.7553	Intermediate Similarity	NPD7525	Registered
0.7551	Intermediate Similarity	NPD4751	Clinical (unspecified phase)
0.7544	Intermediate Similarity	NPD7516	Approved
0.75	Intermediate Similarity	NPD6370	Approved
0.75	Intermediate Similarity	NPD6695	Phase 3
0.7478	Intermediate Similarity	NPD8377	Approved
0.7478	Intermediate Similarity	NPD8294	Approved
0.7414	Intermediate Similarity	NPD8335	Approved
0.7414	Intermediate Similarity	NPD8379	Approved
0.7414	Intermediate Similarity	NPD6016	Approved
0.7414	Intermediate Similarity	NPD8378	Approved
0.7414	Intermediate Similarity	NPD6015	Approved
0.7414	Intermediate Similarity	NPD8380	Approved
0.7414	Intermediate Similarity	NPD8296	Approved
0.7395	Intermediate Similarity	NPD7078	Approved
0.7373	Intermediate Similarity	NPD7492	Approved
0.735	Intermediate Similarity	NPD5988	Approved
0.7312	Intermediate Similarity	NPD6933	Approved
0.7311	Intermediate Similarity	NPD6616	Approved
0.7283	Intermediate Similarity	NPD4784	Approved
0.7283	Intermediate Similarity	NPD4785	Approved
0.7265	Intermediate Similarity	NPD7503	Approved
0.7253	Intermediate Similarity	NPD4243	Approved
0.725	Intermediate Similarity	NPD8293	Discontinued
0.72	Intermediate Similarity	NPD7750	Discontinued
0.719	Intermediate Similarity	NPD7736	Approved
0.7188	Intermediate Similarity	NPD6931	Approved
0.7188	Intermediate Similarity	NPD6930	Phase 2
0.7188	Intermediate Similarity	NPD6928	Phase 2
0.7184	Intermediate Similarity	NPD6399	Phase 3
0.7184	Intermediate Similarity	NPD8171	Discontinued
0.7168	Intermediate Similarity	NPD6882	Approved
0.7167	Intermediate Similarity	NPD7507	Approved
0.7117	Intermediate Similarity	NPD7320	Approved
0.7097	Intermediate Similarity	NPD6926	Approved
0.7097	Intermediate Similarity	NPD6924	Approved
0.7097	Intermediate Similarity	NPD8449	Approved
0.7091	Intermediate Similarity	NPD7128	Approved
0.7091	Intermediate Similarity	NPD5739	Approved
0.7091	Intermediate Similarity	NPD6402	Approved
0.7091	Intermediate Similarity	NPD6675	Approved
0.7083	Intermediate Similarity	NPD6929	Approved
0.7075	Intermediate Similarity	NPD6084	Phase 2
0.7075	Intermediate Similarity	NPD6083	Phase 2
0.7071	Intermediate Similarity	NPD4786	Approved
0.7069	Intermediate Similarity	NPD6009	Approved
0.7053	Intermediate Similarity	NPD6932	Approved
0.7049	Intermediate Similarity	NPD6033	Approved
0.704	Intermediate Similarity	NPD8450	Suspended
0.7018	Intermediate Similarity	NPD8297	Approved
0.701	Intermediate Similarity	NPD4748	Discontinued
0.7	Intermediate Similarity	NPD6067	Discontinued
0.6992	Remote Similarity	NPD7319	Approved
0.6964	Remote Similarity	NPD6881	Approved
0.6964	Remote Similarity	NPD6899	Approved
0.6957	Remote Similarity	NPD4632	Approved
0.6937	Remote Similarity	NPD6008	Approved
0.6923	Remote Similarity	NPD7087	Discontinued
0.6916	Remote Similarity	NPD4755	Approved
0.6907	Remote Similarity	NPD6683	Phase 2
0.6907	Remote Similarity	NPD7645	Phase 2
0.6903	Remote Similarity	NPD6372	Approved
0.6903	Remote Similarity	NPD6373	Approved
0.6893	Remote Similarity	NPD6051	Approved
0.6893	Remote Similarity	NPD4753	Phase 2
0.6891	Remote Similarity	NPD6319	Approved
0.6875	Remote Similarity	NPD5776	Phase 2
0.6875	Remote Similarity	NPD5697	Approved
0.6875	Remote Similarity	NPD5701	Approved
0.6875	Remote Similarity	NPD6925	Approved
0.6869	Remote Similarity	NPD3667	Approved
0.6857	Remote Similarity	NPD4202	Approved
0.6852	Remote Similarity	NPD7638	Approved
0.6842	Remote Similarity	NPD5275	Approved
0.6842	Remote Similarity	NPD4634	Approved
0.6842	Remote Similarity	NPD4190	Phase 3
0.6842	Remote Similarity	NPD7290	Approved
0.6842	Remote Similarity	NPD7102	Approved
0.6842	Remote Similarity	NPD6883	Approved
0.6837	Remote Similarity	NPD7514	Phase 3
0.6832	Remote Similarity	NPD6893	Approved
0.6814	Remote Similarity	NPD6686	Approved
0.681	Remote Similarity	NPD8133	Approved
0.6804	Remote Similarity	NPD7145	Approved
0.68	Remote Similarity	NPD5956	Approved
0.6789	Remote Similarity	NPD7639	Approved
0.6789	Remote Similarity	NPD5286	Approved
0.6789	Remote Similarity	NPD4700	Approved
0.6789	Remote Similarity	NPD4696	Approved
0.6789	Remote Similarity	NPD5285	Approved
0.6789	Remote Similarity	NPD7640	Approved
0.6783	Remote Similarity	NPD8130	Phase 1
0.6783	Remote Similarity	NPD6650	Approved
0.6783	Remote Similarity	NPD6869	Approved
0.6783	Remote Similarity	NPD6847	Approved
0.6783	Remote Similarity	NPD6649	Approved
0.6783	Remote Similarity	NPD6617	Approved
0.6754	Remote Similarity	NPD6014	Approved
0.6754	Remote Similarity	NPD6012	Approved
0.6754	Remote Similarity	NPD6013	Approved
0.6735	Remote Similarity	NPD4195	Approved
0.6733	Remote Similarity	NPD3665	Phase 1
0.6733	Remote Similarity	NPD3133	Approved
0.6733	Remote Similarity	NPD3666	Approved
0.6729	Remote Similarity	NPD5695	Phase 3
0.6727	Remote Similarity	NPD4159	Approved
0.6702	Remote Similarity	NPD7151	Approved
0.6702	Remote Similarity	NPD7152	Approved
0.6702	Remote Similarity	NPD7150	Approved
0.6697	Remote Similarity	NPD5696	Approved
0.6667	Remote Similarity	NPD7509	Discontinued
0.6667	Remote Similarity	NPD5225	Approved
0.6667	Remote Similarity	NPD4633	Approved
0.6667	Remote Similarity	NPD6011	Approved
0.6667	Remote Similarity	NPD7332	Phase 2
0.6667	Remote Similarity	NPD6922	Approved
0.6667	Remote Similarity	NPD5226	Approved
0.6667	Remote Similarity	NPD6923	Approved
0.6667	Remote Similarity	NPD5224	Approved
0.6667	Remote Similarity	NPD5211	Phase 2
0.6639	Remote Similarity	NPD7115	Discovery
0.6638	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.6635	Remote Similarity	NPD6903	Approved
0.6609	Remote Similarity	NPD8132	Clinical (unspecified phase)
0.6607	Remote Similarity	NPD5174	Approved
0.6607	Remote Similarity	NPD5175	Approved
0.6604	Remote Similarity	NPD7637	Suspended
0.6602	Remote Similarity	NPD7334	Approved
0.6602	Remote Similarity	NPD6409	Approved
0.6602	Remote Similarity	NPD5330	Approved
0.6602	Remote Similarity	NPD7146	Approved
0.6602	Remote Similarity	NPD6684	Approved
0.6602	Remote Similarity	NPD7521	Approved
0.66	Remote Similarity	NPD6898	Phase 1
0.66	Remote Similarity	NPD6902	Approved
0.6596	Remote Similarity	NPD7143	Approved
0.6596	Remote Similarity	NPD7144	Approved
0.6585	Remote Similarity	NPD7604	Phase 2
0.6581	Remote Similarity	NPD6053	Discontinued
0.6577	Remote Similarity	NPD5223	Approved
0.6574	Remote Similarity	NPD5210	Approved
0.6574	Remote Similarity	NPD4629	Approved
0.6574	Remote Similarity	NPD6356	Clinical (unspecified phase)
0.6571	Remote Similarity	NPD5328	Approved
0.6557	Remote Similarity	NPD5983	Phase 2
0.6549	Remote Similarity	NPD8170	Clinical (unspecified phase)
0.6549	Remote Similarity	NPD5141	Approved
0.6545	Remote Similarity	NPD4225	Approved
0.6535	Remote Similarity	NPD4221	Approved
0.6535	Remote Similarity	NPD4223	Phase 3
0.6505	Remote Similarity	NPD5329	Approved
0.6491	Remote Similarity	NPD4767	Approved
0.6491	Remote Similarity	NPD4768	Approved
0.6489	Remote Similarity	NPD4267	Clinical (unspecified phase)
0.648	Remote Similarity	NPD6336	Discontinued
0.6476	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.646	Remote Similarity	NPD4754	Approved
0.6449	Remote Similarity	NPD6079	Approved
0.6442	Remote Similarity	NPD3618	Phase 1
0.6442	Remote Similarity	NPD6098	Approved
0.6417	Remote Similarity	NPD6274	Approved
0.6415	Remote Similarity	NPD6673	Approved
0.6415	Remote Similarity	NPD6904	Approved
0.6415	Remote Similarity	NPD6080	Approved
0.6408	Remote Similarity	NPD3668	Phase 3
0.6408	Remote Similarity	NPD4197	Approved
0.6393	Remote Similarity	NPD7101	Approved
0.6393	Remote Similarity	NPD7100	Approved
0.6379	Remote Similarity	NPD4730	Approved
0.6379	Remote Similarity	NPD5128	Approved
0.6379	Remote Similarity	NPD4729	Approved
0.6364	Remote Similarity	NPD8295	Clinical (unspecified phase)
0.6355	Remote Similarity	NPD3168	Discontinued
0.6325	Remote Similarity	NPD4061	Clinical (unspecified phase)
0.6321	Remote Similarity	NPD6672	Approved
0.6321	Remote Similarity	NPD5737	Approved
0.632	Remote Similarity	NPD8328	Phase 3
0.6311	Remote Similarity	NPD6335	Approved
0.6311	Remote Similarity	NPD4788	Approved
0.63	Remote Similarity	NPD7322	Clinical (unspecified phase)
0.6296	Remote Similarity	NPD5281	Approved
0.6296	Remote Similarity	NPD8035	Phase 2
0.6296	Remote Similarity	NPD5284	Approved
0.6296	Remote Similarity	NPD8034	Phase 2
0.629	Remote Similarity	NPD6909	Approved
0.629	Remote Similarity	NPD6908	Approved
0.629	Remote Similarity	NPD6291	Clinical (unspecified phase)
0.6286	Remote Similarity	NPD4693	Phase 3
0.6286	Remote Similarity	NPD4138	Approved

Structure

CID309493 OpenBabel06191716122D 32 37 0 0 1 0 0 0 0 0999 V2000 1.7664 1.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3639 -0.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9537 0.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5707 -2.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0534 -0.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 -0.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2759 -0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4367 0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2754 -3.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7587 -1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4364 -2.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9195 -1.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1149 -1.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9195 1.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 1.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9543 1.3152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2759 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1146 -2.5794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5974 -0.1577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5974 -1.1268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7582 0.3269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0808 1.2953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0802 0.3272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9549 0.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4367 -1.6113 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9194 -0.1574 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1593 0.0286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5908 0.8121 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.9806 -3.0796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4126 -0.6430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1602 1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 24 1 0 0 0 0 3 24 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 17 2 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 16 1 1 6 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 18 29 1 6 0 0 0 19 8 1 1 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 25 1 6 0 0 0 21 26 1 6 0 0 0 22 14 1 6 0 0 0 22 23 1 0 0 0 0 22 31 1 0 0 0 0 23 26 1 6 0 0 0 23 27 1 0 0 0 0 24 32 1 0 0 0 0 25 4 1 6 0 0 0 26 5 1 6 0 0 0 27 28 1 1 0 0 0 27 30 1 0 0 0 0 28 15 1 6 0 0 0 28 31 1 0 0 0 0 28 32 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	54586888
ChEMBL	CHEMBL1784242
ZINC

Physicochemical Properties

Molecular Weight:	444.32
ALogP:	0.7085
MLogP:	4.1
XLogP:	5.65
# Rotatable Bonds:	8
Polar Surface Area:	58.92
# H-Bond Aceptor:	4
# H-Bond Donor:	2
# Rings:	6
# Heavy Atoms:	32

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