NPASS Natural Product

Natural Product: NPC82979

Natural Product ID:	NPC82979
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C20H30O3
Standard InCHIKey:	DKZUGBXOAOLWAX-ZWDFGCBGSA-N
Standard InCHI:	InChI=1S/C20H30O3/c1-5-18(2)12-9-14-13(16(18)21)7-8-15-19(14,3)10-6-11-20(15,4)17(22)23/h5,7,14-16,21H,1,6,8-12H2,2-4H3,(H,22,23)/t14-,15+,16+,18-,19+,20+/m0/s1
Canonical SMILES:	C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)[C@H]1O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Reference
NPO6284	Frasera caroliniensis	Species	Gentianaceae	Eukaryota		UNPD*
NPO13295	Teucrium nuchense	Species	Lamiaceae	Eukaryota		UNPD*
NPO13153	Callicarpa macrophylla	Species	Lamiaceae	Eukaryota	Leaves	PMID[26110519]
NPO14757	Acacia acuminata	Species	Fabaceae	Eukaryota		UNPD*
NPO5253	Salvia oxyodon	Species	Lamiaceae	Eukaryota		UNPD*
NPO10538	Aspergillus fumigatus	Species	Aspergillaceae	Eukaryota		UNPD*
NPO13653	Sorbus domestica	Species	Rosaceae	Eukaryota		UNPD*
NPO27144	Daiswa dunniana	Species	Melanthiaceae	Eukaryota		UNPD*
NPO7745	Agathis macrophylla	Species	Araucariaceae	Eukaryota		UNPD*
NPO12739	Pseudoscleropodium purum	Species	Brachytheciaceae	Eukaryota		UNPD*
NPO7000	Echium italicum	Species	Boraginaceae	Eukaryota		UNPD*
NPO15620	Kingiella taenialis	NA	NA	NA		UNPD*
NPO1689	Epimedium pubescens	Species	Berberidaceae	Eukaryota		UNPD*

Biological Activity

Activity Type	# Activity
EC50	1

Activity Type	# Activity
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		EC50	=	16000	nM	26110519

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 NPC82979 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	117
0.1-0.2	605
0.2-0.3	2463
0.3-0.4	5335
0.4-0.5	10593
0.5-0.6	4800
0.6-0.7	4119
0.7-0.8	2341
0.8-0.85	412
0.85-0.9	100
0.9-0.95	4
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9277	High Similarity	NPC473226
0.9136	High Similarity	NPC473420
0.9048	High Similarity	NPC322159
0.9024	High Similarity	NPC73882
0.8876	High Similarity	NPC53565
0.8837	High Similarity	NPC181225
0.8837	High Similarity	NPC290690
0.8837	High Similarity	NPC17733
0.8837	High Similarity	NPC470629
0.8837	High Similarity	NPC473242
0.8837	High Similarity	NPC474512
0.8824	High Similarity	NPC73038
0.8824	High Similarity	NPC470955
0.8824	High Similarity	NPC325594
0.8765	High Similarity	NPC269543
0.8765	High Similarity	NPC239098
0.8765	High Similarity	NPC247783
0.875	High Similarity	NPC301244
0.875	High Similarity	NPC69143
0.8736	High Similarity	NPC274330
0.8736	High Similarity	NPC198664
0.8736	High Similarity	NPC281524
0.8736	High Similarity	NPC143232
0.8736	High Similarity	NPC470588
0.8721	High Similarity	NPC71507
0.8721	High Similarity	NPC142415
0.8721	High Similarity	NPC242468
0.8721	High Similarity	NPC307426
0.8721	High Similarity	NPC102683
0.8721	High Similarity	NPC293564
0.8721	High Similarity	NPC142361
0.8721	High Similarity	NPC88716
0.8721	High Similarity	NPC130577
0.8721	High Similarity	NPC68160
0.8721	High Similarity	NPC474684
0.8721	High Similarity	NPC171203
0.8721	High Similarity	NPC18064
0.8721	High Similarity	NPC51700
0.8721	High Similarity	NPC98442
0.8706	High Similarity	NPC52628
0.869	High Similarity	NPC215893
0.8667	High Similarity	NPC290481
0.8642	High Similarity	NPC91594
0.8636	High Similarity	NPC470589
0.8636	High Similarity	NPC126369
0.8636	High Similarity	NPC111110
0.8625	High Similarity	NPC192540
0.8625	High Similarity	NPC279666
0.8621	High Similarity	NPC182797
0.8621	High Similarity	NPC104560
0.8621	High Similarity	NPC246708
0.8621	High Similarity	NPC40552
0.8621	High Similarity	NPC52169
0.8605	High Similarity	NPC472985
0.8605	High Similarity	NPC72638
0.8605	High Similarity	NPC472986
0.8605	High Similarity	NPC155011
0.8588	High Similarity	NPC165064
0.8587	High Similarity	NPC478056
0.8571	High Similarity	NPC235053
0.8571	High Similarity	NPC116457
0.8556	High Similarity	NPC91010
0.8556	High Similarity	NPC470957
0.8556	High Similarity	NPC80365
0.8556	High Similarity	NPC87095
0.8556	High Similarity	NPC470958
0.8556	High Similarity	NPC469406
0.8554	High Similarity	NPC148685
0.8554	High Similarity	NPC157895
0.8554	High Similarity	NPC104120
0.8539	High Similarity	NPC187722
0.8539	High Similarity	NPC38754
0.8537	High Similarity	NPC179028
0.8523	High Similarity	NPC25906
0.8523	High Similarity	NPC234346
0.8523	High Similarity	NPC64872
0.8523	High Similarity	NPC95246
0.8523	High Similarity	NPC270768
0.8523	High Similarity	NPC61543
0.8523	High Similarity	NPC225585
0.8523	High Similarity	NPC475921
0.8523	High Similarity	NPC121798
0.8523	High Similarity	NPC263393
0.8523	High Similarity	NPC59263
0.8523	High Similarity	NPC474686
0.8523	High Similarity	NPC127689
0.8523	High Similarity	NPC474972
0.8523	High Similarity	NPC128496
0.8523	High Similarity	NPC474704
0.8523	High Similarity	NPC161751
0.8523	High Similarity	NPC130520
0.8523	High Similarity	NPC293048
0.8523	High Similarity	NPC290972
0.8506	High Similarity	NPC187376
0.8506	High Similarity	NPC159046
0.8506	High Similarity	NPC233836
0.8506	High Similarity	NPC477926
0.85	High Similarity	NPC476046
0.85	High Similarity	NPC161923
0.85	High Similarity	NPC103958
0.85	High Similarity	NPC251970
0.85	High Similarity	NPC183503
0.85	High Similarity	NPC283908
0.85	High Similarity	NPC241854
0.8488	Intermediate Similarity	NPC471224
0.8488	Intermediate Similarity	NPC476426
0.8488	Intermediate Similarity	NPC274724
0.8478	Intermediate Similarity	NPC189880
0.8471	Intermediate Similarity	NPC312480
0.8462	Intermediate Similarity	NPC266899
0.8452	Intermediate Similarity	NPC14151
0.8452	Intermediate Similarity	NPC142163
0.8452	Intermediate Similarity	NPC159148
0.8444	Intermediate Similarity	NPC118519
0.8444	Intermediate Similarity	NPC202728
0.8444	Intermediate Similarity	NPC474806
0.8444	Intermediate Similarity	NPC158059
0.8444	Intermediate Similarity	NPC229281
0.8444	Intermediate Similarity	NPC133579
0.8434	Intermediate Similarity	NPC281138
0.8434	Intermediate Similarity	NPC308038
0.8434	Intermediate Similarity	NPC100906
0.8427	Intermediate Similarity	NPC469400
0.8427	Intermediate Similarity	NPC86372
0.8427	Intermediate Similarity	NPC120968
0.8427	Intermediate Similarity	NPC474728
0.8427	Intermediate Similarity	NPC48010
0.8427	Intermediate Similarity	NPC290614
0.8427	Intermediate Similarity	NPC291028
0.8427	Intermediate Similarity	NPC172361
0.8427	Intermediate Similarity	NPC18872
0.8427	Intermediate Similarity	NPC477872
0.8427	Intermediate Similarity	NPC7260
0.8427	Intermediate Similarity	NPC210037
0.8427	Intermediate Similarity	NPC193750
0.8427	Intermediate Similarity	NPC130278
0.8427	Intermediate Similarity	NPC273621
0.8427	Intermediate Similarity	NPC227467
0.8415	Intermediate Similarity	NPC74995
0.8409	Intermediate Similarity	NPC473229
0.8409	Intermediate Similarity	NPC48107
0.8409	Intermediate Similarity	NPC242864
0.8409	Intermediate Similarity	NPC24816
0.8404	Intermediate Similarity	NPC81530
0.8391	Intermediate Similarity	NPC55309
0.8391	Intermediate Similarity	NPC6979
0.8391	Intermediate Similarity	NPC472974
0.8391	Intermediate Similarity	NPC28252
0.8391	Intermediate Similarity	NPC198761
0.8387	Intermediate Similarity	NPC316598
0.8387	Intermediate Similarity	NPC174663
0.8372	Intermediate Similarity	NPC171789
0.8372	Intermediate Similarity	NPC227132
0.837	Intermediate Similarity	NPC301534
0.837	Intermediate Similarity	NPC250757
0.8353	Intermediate Similarity	NPC151519
0.8353	Intermediate Similarity	NPC48362
0.8352	Intermediate Similarity	NPC6818
0.8352	Intermediate Similarity	NPC114159
0.8352	Intermediate Similarity	NPC209868
0.8352	Intermediate Similarity	NPC159365
0.8352	Intermediate Similarity	NPC292793
0.8352	Intermediate Similarity	NPC191412
0.8333	Intermediate Similarity	NPC110657
0.8333	Intermediate Similarity	NPC288833
0.8333	Intermediate Similarity	NPC306541
0.8333	Intermediate Similarity	NPC60755
0.8333	Intermediate Similarity	NPC25299
0.8333	Intermediate Similarity	NPC172013
0.8333	Intermediate Similarity	NPC470590
0.8333	Intermediate Similarity	NPC2482
0.8333	Intermediate Similarity	NPC77099
0.8333	Intermediate Similarity	NPC71074
0.8333	Intermediate Similarity	NPC285184
0.8333	Intermediate Similarity	NPC86266
0.8333	Intermediate Similarity	NPC228784
0.8333	Intermediate Similarity	NPC300351
0.8333	Intermediate Similarity	NPC189520
0.8333	Intermediate Similarity	NPC84319
0.8333	Intermediate Similarity	NPC271104
0.8333	Intermediate Similarity	NPC145067
0.8333	Intermediate Similarity	NPC472149
0.8333	Intermediate Similarity	NPC158030
0.8333	Intermediate Similarity	NPC105189
0.8333	Intermediate Similarity	NPC212301
0.8333	Intermediate Similarity	NPC235884
0.8333	Intermediate Similarity	NPC65120
0.8333	Intermediate Similarity	NPC281880
0.8333	Intermediate Similarity	NPC155120
0.8333	Intermediate Similarity	NPC282616
0.8333	Intermediate Similarity	NPC474525
0.8333	Intermediate Similarity	NPC966
0.8333	Intermediate Similarity	NPC52021
0.8333	Intermediate Similarity	NPC475806
0.8333	Intermediate Similarity	NPC324341
0.8333	Intermediate Similarity	NPC6255
0.8333	Intermediate Similarity	NPC471588
0.8333	Intermediate Similarity	NPC4036
0.8333	Intermediate Similarity	NPC233455
0.8316	Intermediate Similarity	NPC136289

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC82979 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	129
0.1-0.2	983
0.2-0.3	3245
0.3-0.4	2865
0.4-0.5	1242
0.5-0.6	325
0.6-0.7	239
0.7-0.8	129
0.8-0.85	4
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8353	Intermediate Similarity	NPD3667	Approved
0.8333	Intermediate Similarity	NPD7515	Phase 2
0.8182	Intermediate Similarity	NPD3618	Phase 1
0.8161	Intermediate Similarity	NPD4786	Approved
0.7957	Intermediate Similarity	NPD7748	Approved
0.7955	Intermediate Similarity	NPD3666	Approved
0.7955	Intermediate Similarity	NPD3133	Approved
0.7955	Intermediate Similarity	NPD3665	Phase 1
0.7935	Intermediate Similarity	NPD6079	Approved
0.7912	Intermediate Similarity	NPD5328	Approved
0.7865	Intermediate Similarity	NPD7520	Clinical (unspecified phase)
0.7849	Intermediate Similarity	NPD6399	Phase 3
0.7778	Intermediate Similarity	NPD4519	Discontinued
0.7778	Intermediate Similarity	NPD4623	Approved
0.7742	Intermediate Similarity	NPD6411	Approved
0.7732	Intermediate Similarity	NPD7639	Approved
0.7732	Intermediate Similarity	NPD7640	Approved
0.7708	Intermediate Similarity	NPD7902	Approved
0.766	Intermediate Similarity	NPD5778	Approved
0.766	Intermediate Similarity	NPD4202	Approved
0.766	Intermediate Similarity	NPD5779	Approved
0.7629	Intermediate Similarity	NPD7638	Approved
0.7604	Intermediate Similarity	NPD5222	Approved
0.7604	Intermediate Similarity	NPD5221	Approved
0.7604	Intermediate Similarity	NPD5220	Clinical (unspecified phase)
0.7582	Intermediate Similarity	NPD5330	Approved
0.7582	Intermediate Similarity	NPD6409	Approved
0.7582	Intermediate Similarity	NPD6684	Approved
0.7582	Intermediate Similarity	NPD7521	Approved
0.7582	Intermediate Similarity	NPD7334	Approved
0.7582	Intermediate Similarity	NPD7146	Approved
0.7576	Intermediate Similarity	NPD5211	Phase 2
0.7556	Intermediate Similarity	NPD3668	Phase 3
0.7527	Intermediate Similarity	NPD6101	Approved
0.7527	Intermediate Similarity	NPD5764	Clinical (unspecified phase)
0.7526	Intermediate Similarity	NPD5173	Approved
0.75	Intermediate Similarity	NPD3573	Approved
0.75	Intermediate Similarity	NPD4695	Discontinued
0.7477	Intermediate Similarity	NPD7115	Discovery
0.7473	Intermediate Similarity	NPD1694	Approved
0.7471	Intermediate Similarity	NPD5784	Clinical (unspecified phase)
0.7451	Intermediate Similarity	NPD5697	Approved
0.7449	Intermediate Similarity	NPD4225	Approved
0.7442	Intermediate Similarity	NPD3701	Clinical (unspecified phase)
0.7426	Intermediate Similarity	NPD5141	Approved
0.7423	Intermediate Similarity	NPD4697	Phase 3
0.7419	Intermediate Similarity	NPD6903	Approved
0.7419	Intermediate Similarity	NPD7513	Clinical (unspecified phase)
0.7396	Intermediate Similarity	NPD7901	Clinical (unspecified phase)
0.7396	Intermediate Similarity	NPD7900	Approved
0.7391	Intermediate Similarity	NPD5279	Phase 3
0.7386	Intermediate Similarity	NPD7645	Phase 2
0.7379	Intermediate Similarity	NPD6011	Approved
0.7379	Intermediate Similarity	NPD6881	Approved
0.7379	Intermediate Similarity	NPD6899	Approved
0.7374	Intermediate Similarity	NPD5286	Approved
0.7374	Intermediate Similarity	NPD4696	Approved
0.7374	Intermediate Similarity	NPD5285	Approved
0.7353	Intermediate Similarity	NPD6675	Approved
0.7353	Intermediate Similarity	NPD6402	Approved
0.7353	Intermediate Similarity	NPD7128	Approved
0.7353	Intermediate Similarity	NPD5739	Approved
0.7347	Intermediate Similarity	NPD6083	Phase 2
0.7347	Intermediate Similarity	NPD4755	Approved
0.7347	Intermediate Similarity	NPD6084	Phase 2
0.734	Intermediate Similarity	NPD7285	Clinical (unspecified phase)
0.734	Intermediate Similarity	NPD4753	Phase 2
0.7333	Intermediate Similarity	NPD4221	Approved
0.7333	Intermediate Similarity	NPD4223	Phase 3
0.7333	Intermediate Similarity	NPD4752	Clinical (unspecified phase)
0.7326	Intermediate Similarity	NPD8264	Approved
0.7326	Intermediate Similarity	NPD6942	Approved
0.7326	Intermediate Similarity	NPD7339	Approved
0.7308	Intermediate Similarity	NPD6012	Approved
0.7308	Intermediate Similarity	NPD6014	Approved
0.7308	Intermediate Similarity	NPD6013	Approved
0.73	Intermediate Similarity	NPD5223	Approved
0.7282	Intermediate Similarity	NPD5701	Approved
0.7253	Intermediate Similarity	NPD5362	Discontinued
0.7238	Intermediate Similarity	NPD7102	Approved
0.7238	Intermediate Similarity	NPD6883	Approved
0.7238	Intermediate Similarity	NPD7290	Approved
0.7234	Intermediate Similarity	NPD5737	Approved
0.7234	Intermediate Similarity	NPD6672	Approved
0.7228	Intermediate Similarity	NPD5224	Approved
0.7228	Intermediate Similarity	NPD5226	Approved
0.7228	Intermediate Similarity	NPD4633	Approved
0.7228	Intermediate Similarity	NPD5225	Approved
0.7212	Intermediate Similarity	NPD7320	Approved
0.7204	Intermediate Similarity	NPD3574	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD4700	Approved
0.7188	Intermediate Similarity	NPD5284	Approved
0.7188	Intermediate Similarity	NPD5281	Approved
0.7188	Intermediate Similarity	NPD8035	Phase 2
0.7188	Intermediate Similarity	NPD8034	Phase 2
0.7188	Intermediate Similarity	NPD7637	Suspended
0.7174	Intermediate Similarity	NPD4197	Approved
0.717	Intermediate Similarity	NPD6869	Approved
0.717	Intermediate Similarity	NPD6617	Approved
0.717	Intermediate Similarity	NPD8130	Phase 1
0.717	Intermediate Similarity	NPD6650	Approved
0.717	Intermediate Similarity	NPD6649	Approved
0.717	Intermediate Similarity	NPD6847	Approved
0.7157	Intermediate Similarity	NPD5174	Approved
0.7157	Intermediate Similarity	NPD5175	Approved
0.7143	Intermediate Similarity	NPD6373	Approved
0.7143	Intermediate Similarity	NPD4629	Approved
0.7143	Intermediate Similarity	NPD6372	Approved
0.7143	Intermediate Similarity	NPD4270	Approved
0.7143	Intermediate Similarity	NPD5695	Phase 3
0.7143	Intermediate Similarity	NPD5210	Approved
0.7143	Intermediate Similarity	NPD4269	Approved
0.7128	Intermediate Similarity	NPD4751	Clinical (unspecified phase)
0.7111	Intermediate Similarity	NPD7525	Registered
0.7103	Intermediate Similarity	NPD8297	Approved
0.7103	Intermediate Similarity	NPD6882	Approved
0.71	Intermediate Similarity	NPD5696	Approved
0.7097	Intermediate Similarity	NPD5329	Approved
0.7079	Intermediate Similarity	NPD3617	Approved
0.7065	Intermediate Similarity	NPD7154	Phase 3
0.7059	Intermediate Similarity	NPD7632	Discontinued
0.7045	Intermediate Similarity	NPD6117	Approved
0.7037	Intermediate Similarity	NPD4632	Approved
0.7021	Intermediate Similarity	NPD6098	Approved
0.7021	Intermediate Similarity	NPD4693	Phase 3
0.7021	Intermediate Similarity	NPD4690	Approved
0.7021	Intermediate Similarity	NPD4138	Approved
0.7021	Intermediate Similarity	NPD5690	Phase 2
0.7021	Intermediate Similarity	NPD4688	Approved
0.7021	Intermediate Similarity	NPD5205	Approved
0.7021	Intermediate Similarity	NPD4689	Approved
0.7011	Intermediate Similarity	NPD6113	Clinical (unspecified phase)
0.7009	Intermediate Similarity	NPD6401	Clinical (unspecified phase)
0.699	Remote Similarity	NPD4754	Approved
0.6981	Remote Similarity	NPD4061	Clinical (unspecified phase)
0.697	Remote Similarity	NPD6356	Clinical (unspecified phase)
0.6966	Remote Similarity	NPD6116	Phase 1
0.6932	Remote Similarity	NPD8039	Approved
0.6923	Remote Similarity	NPD4821	Approved
0.6923	Remote Similarity	NPD4252	Approved
0.6923	Remote Similarity	NPD4820	Approved
0.6923	Remote Similarity	NPD4819	Approved
0.6923	Remote Similarity	NPD4822	Approved
0.6915	Remote Similarity	NPD5363	Approved
0.6909	Remote Similarity	NPD6868	Approved
0.6907	Remote Similarity	NPD5785	Approved
0.6889	Remote Similarity	NPD4268	Approved
0.6889	Remote Similarity	NPD6118	Approved
0.6889	Remote Similarity	NPD6115	Approved
0.6889	Remote Similarity	NPD6114	Approved
0.6889	Remote Similarity	NPD4271	Approved
0.6889	Remote Similarity	NPD6697	Approved
0.6889	Remote Similarity	NPD7322	Clinical (unspecified phase)
0.6887	Remote Similarity	NPD4729	Approved
0.6887	Remote Similarity	NPD5168	Approved
0.6887	Remote Similarity	NPD6686	Approved
0.6887	Remote Similarity	NPD4730	Approved
0.6882	Remote Similarity	NPD5332	Approved
0.6882	Remote Similarity	NPD4788	Approved
0.6882	Remote Similarity	NPD5331	Approved
0.6875	Remote Similarity	NPD5208	Approved
0.6869	Remote Similarity	NPD6001	Approved
0.6863	Remote Similarity	NPD6404	Discontinued
0.6857	Remote Similarity	NPD4768	Approved
0.6857	Remote Similarity	NPD4767	Approved
0.6857	Remote Similarity	NPD6008	Approved
0.6848	Remote Similarity	NPD4790	Discontinued
0.6847	Remote Similarity	NPD6317	Approved
0.6847	Remote Similarity	NPD6009	Approved
0.6842	Remote Similarity	NPD5786	Approved
0.6842	Remote Similarity	NPD5280	Approved
0.6842	Remote Similarity	NPD4694	Approved
0.6837	Remote Similarity	NPD5693	Phase 1
0.6818	Remote Similarity	NPD6924	Approved
0.6818	Remote Similarity	NPD4784	Approved
0.6818	Remote Similarity	NPD6926	Approved
0.6818	Remote Similarity	NPD4785	Approved
0.6813	Remote Similarity	NPD4195	Approved
0.6813	Remote Similarity	NPD6929	Approved
0.6804	Remote Similarity	NPD6904	Approved
0.6804	Remote Similarity	NPD6080	Approved
0.6804	Remote Similarity	NPD6051	Approved
0.6804	Remote Similarity	NPD6673	Approved
0.6786	Remote Similarity	NPD6314	Approved
0.6786	Remote Similarity	NPD6313	Approved
0.6786	Remote Similarity	NPD6335	Approved
0.6759	Remote Similarity	NPD5249	Phase 3
0.6759	Remote Similarity	NPD4634	Approved
0.6759	Remote Similarity	NPD5169	Approved
0.6759	Remote Similarity	NPD5955	Clinical (unspecified phase)
0.6759	Remote Similarity	NPD5135	Approved
0.6759	Remote Similarity	NPD5250	Approved
0.6759	Remote Similarity	NPD5251	Approved
0.6759	Remote Similarity	NPD5134	Clinical (unspecified phase)
0.6759	Remote Similarity	NPD5247	Approved
0.6759	Remote Similarity	NPD5248	Approved
0.6757	Remote Similarity	NPD6274	Approved
0.6744	Remote Similarity	NPD3699	Clinical (unspecified phase)
0.6744	Remote Similarity	NPD3700	Clinical (unspecified phase)
0.6744	Remote Similarity	NPD4137	Phase 3

Structure

CID82979 OpenBabel06191715422D 23 25 0 0 1 0 0 0 0 0999 V2000 1.2247 1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7934 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9641 -3.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2588 0.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 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 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5981 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0000 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9641 -3.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4641 -3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -4.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9641 -3.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 5 18 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 15 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 19 1 1 0 0 0 15 19 1 1 0 0 0 15 20 1 0 0 0 0 16 18 1 6 0 0 0 16 21 1 0 0 0 0 17 20 1 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 18 2 1 1 0 0 0 19 3 1 1 0 0 0 20 4 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL3590335
ZINC

Physicochemical Properties

Molecular Weight:	318.22
ALogP:	1.0012
MLogP:	3.33
XLogP:	3.864
# Rotatable Bonds:	7
Polar Surface Area:	57.53
# H-Bond Aceptor:	3
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	23

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