NPASS Natural Product

Natural Product: NPC469407

Natural Product ID:	NPC469407
Common Name:	3'-Norspongiolactone
IUPAC Name:	[(2aR,7S,7aR,7bS)-2-oxo-4-[(1S)-1,3,3-trimethylcyclohexyl]-3,5,6,7,7a,7b-hexahydro-2aH-indeno[1,2-b]oxet-7-yl]methyl butanoate
Synonyms:	3'-Norspongiolactone
Molecular Formula:	C24H36O4
Standard InCHIKey:	YPAWZAVNLSHCSY-MFSWYNMTSA-N
Standard InCHI:	InChI=1S/C24H36O4/c1-5-7-19(25)27-13-15-8-9-18(24(4)11-6-10-23(2,3)14-24)16-12-17-21(20(15)16)28-22(17)26/h15,17,20-21H,5-14H2,1-4H3/t15-,17-,20-,21-,24+/m1/s1
Canonical SMILES:	CCCC(=O)OC[C@H]1CCC(=C2[C@@H]1[C@@H]1OC(=O)[C@@H]1C2)[C@@]1(C)CCCC(C1)(C)C
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
NPO33347	spongionella sp.	Species	Dictyodendrillidae	Eukaryota				PMID[19601607]

Biological Activity

Activity Type	# Activity
IC50	2

Activity Type	# Activity
Cell Line	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT111	Cell Line	K562	Homo sapiens	IC50	=	12000	nM	PubChem BioAssay data set
NPT927	Cell Line	PBMC	Homo sapiens	IC50	=	30000	nM	11520227

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 NPC469407 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	141
0.1-0.2	947
0.2-0.3	4136
0.3-0.4	10741
0.4-0.5	5335
0.5-0.6	4444
0.6-0.7	4276
0.7-0.8	856
0.8-0.85	13
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8353	Intermediate Similarity	NPC100391
0.8161	Intermediate Similarity	NPC264127
0.814	Intermediate Similarity	NPC109512
0.814	Intermediate Similarity	NPC475193
0.814	Intermediate Similarity	NPC120158
0.8111	Intermediate Similarity	NPC150383
0.809	Intermediate Similarity	NPC474570
0.8068	Intermediate Similarity	NPC167877
0.8049	Intermediate Similarity	NPC476987
0.8049	Intermediate Similarity	NPC59602
0.8049	Intermediate Similarity	NPC152754
0.8023	Intermediate Similarity	NPC476100
0.8	Intermediate Similarity	NPC476988
0.7978	Intermediate Similarity	NPC80335
0.7978	Intermediate Similarity	NPC97884
0.7978	Intermediate Similarity	NPC183546
0.7978	Intermediate Similarity	NPC472220
0.7978	Intermediate Similarity	NPC294480
0.7978	Intermediate Similarity	NPC28227
0.7957	Intermediate Similarity	NPC120708
0.7955	Intermediate Similarity	NPC212843
0.7955	Intermediate Similarity	NPC195640
0.7912	Intermediate Similarity	NPC154101
0.7912	Intermediate Similarity	NPC26888
0.7907	Intermediate Similarity	NPC327969
0.7907	Intermediate Similarity	NPC240302
0.7907	Intermediate Similarity	NPC321289
0.7889	Intermediate Similarity	NPC54689
0.7889	Intermediate Similarity	NPC474889
0.7889	Intermediate Similarity	NPC474679
0.7865	Intermediate Similarity	NPC96496
0.7865	Intermediate Similarity	NPC312215
0.7857	Intermediate Similarity	NPC35574
0.7849	Intermediate Similarity	NPC263347
0.7849	Intermediate Similarity	NPC473648
0.7849	Intermediate Similarity	NPC69548
0.7849	Intermediate Similarity	NPC184848
0.7849	Intermediate Similarity	NPC469599
0.7841	Intermediate Similarity	NPC470223
0.7841	Intermediate Similarity	NPC323765
0.7835	Intermediate Similarity	NPC36321
0.7816	Intermediate Similarity	NPC477373
0.7816	Intermediate Similarity	NPC271784
0.7816	Intermediate Similarity	NPC170862
0.7802	Intermediate Similarity	NPC148414
0.7802	Intermediate Similarity	NPC161638
0.7802	Intermediate Similarity	NPC175628
0.7802	Intermediate Similarity	NPC471896
0.7802	Intermediate Similarity	NPC111585
0.7791	Intermediate Similarity	NPC282293
0.7791	Intermediate Similarity	NPC327002
0.7791	Intermediate Similarity	NPC475951
0.7789	Intermediate Similarity	NPC176845
0.7778	Intermediate Similarity	NPC477128
0.7778	Intermediate Similarity	NPC242864
0.7766	Intermediate Similarity	NPC42042
0.7765	Intermediate Similarity	NPC327674
0.7765	Intermediate Similarity	NPC44083
0.7765	Intermediate Similarity	NPC268502
0.7765	Intermediate Similarity	NPC254996
0.7765	Intermediate Similarity	NPC153987
0.7755	Intermediate Similarity	NPC96268
0.7753	Intermediate Similarity	NPC262085
0.7753	Intermediate Similarity	NPC475181
0.7753	Intermediate Similarity	NPC286153
0.7753	Intermediate Similarity	NPC244174
0.7753	Intermediate Similarity	NPC155011
0.7727	Intermediate Similarity	NPC165064
0.7727	Intermediate Similarity	NPC320801
0.7717	Intermediate Similarity	NPC23434
0.7717	Intermediate Similarity	NPC474631
0.7692	Intermediate Similarity	NPC476733
0.7692	Intermediate Similarity	NPC474700
0.7692	Intermediate Similarity	NPC155479
0.7692	Intermediate Similarity	NPC215029
0.7684	Intermediate Similarity	NPC18319
0.7684	Intermediate Similarity	NPC23680
0.7674	Intermediate Similarity	NPC170038
0.7674	Intermediate Similarity	NPC274522
0.7674	Intermediate Similarity	NPC474956
0.7674	Intermediate Similarity	NPC476265
0.7667	Intermediate Similarity	NPC134197
0.7653	Intermediate Similarity	NPC159442
0.7647	Intermediate Similarity	NPC4827
0.7647	Intermediate Similarity	NPC321514
0.764	Intermediate Similarity	NPC76333
0.764	Intermediate Similarity	NPC329738
0.7634	Intermediate Similarity	NPC243866
0.7634	Intermediate Similarity	NPC66429
0.7634	Intermediate Similarity	NPC152897
0.7634	Intermediate Similarity	NPC25750
0.7634	Intermediate Similarity	NPC470375
0.7634	Intermediate Similarity	NPC470376
0.7634	Intermediate Similarity	NPC206810
0.7629	Intermediate Similarity	NPC473514
0.7619	Intermediate Similarity	NPC476985
0.7619	Intermediate Similarity	NPC474316
0.7619	Intermediate Similarity	NPC475744
0.7619	Intermediate Similarity	NPC41017
0.7614	Intermediate Similarity	NPC469561
0.7614	Intermediate Similarity	NPC471037
0.7609	Intermediate Similarity	NPC123854
0.7609	Intermediate Similarity	NPC44240
0.7609	Intermediate Similarity	NPC46281
0.7609	Intermediate Similarity	NPC20388
0.7604	Intermediate Similarity	NPC477813
0.7586	Intermediate Similarity	NPC474955
0.7582	Intermediate Similarity	NPC328313
0.7582	Intermediate Similarity	NPC247406
0.7582	Intermediate Similarity	NPC48866
0.7582	Intermediate Similarity	NPC470613
0.7582	Intermediate Similarity	NPC470612
0.7579	Intermediate Similarity	NPC322063
0.7579	Intermediate Similarity	NPC125622
0.7579	Intermediate Similarity	NPC327788
0.7558	Intermediate Similarity	NPC28319
0.7558	Intermediate Similarity	NPC118987
0.7558	Intermediate Similarity	NPC477371
0.7558	Intermediate Similarity	NPC471475
0.7556	Intermediate Similarity	NPC220478
0.7556	Intermediate Similarity	NPC472505
0.7556	Intermediate Similarity	NPC28252
0.7556	Intermediate Similarity	NPC55309
0.7556	Intermediate Similarity	NPC6979
0.7553	Intermediate Similarity	NPC473435
0.7553	Intermediate Similarity	NPC184870
0.7553	Intermediate Similarity	NPC53685
0.7553	Intermediate Similarity	NPC294266
0.7553	Intermediate Similarity	NPC124207
0.7553	Intermediate Similarity	NPC473431
0.7553	Intermediate Similarity	NPC473280
0.7553	Intermediate Similarity	NPC471078
0.7551	Intermediate Similarity	NPC475558
0.7551	Intermediate Similarity	NPC308351
0.7551	Intermediate Similarity	NPC56498
0.7551	Intermediate Similarity	NPC271266
0.7551	Intermediate Similarity	NPC473788
0.7529	Intermediate Similarity	NPC316500
0.7528	Intermediate Similarity	NPC312660
0.7528	Intermediate Similarity	NPC471343
0.7527	Intermediate Similarity	NPC297265
0.7527	Intermediate Similarity	NPC218301
0.7526	Intermediate Similarity	NPC205899
0.75	Intermediate Similarity	NPC107243
0.75	Intermediate Similarity	NPC475494
0.75	Intermediate Similarity	NPC474704
0.75	Intermediate Similarity	NPC471043
0.75	Intermediate Similarity	NPC57416
0.75	Intermediate Similarity	NPC475921
0.75	Intermediate Similarity	NPC100297
0.75	Intermediate Similarity	NPC133391
0.75	Intermediate Similarity	NPC475894
0.75	Intermediate Similarity	NPC305039
0.75	Intermediate Similarity	NPC284561
0.75	Intermediate Similarity	NPC471342
0.75	Intermediate Similarity	NPC216904
0.75	Intermediate Similarity	NPC260956
0.75	Intermediate Similarity	NPC469866
0.75	Intermediate Similarity	NPC471222
0.75	Intermediate Similarity	NPC226986
0.7474	Intermediate Similarity	NPC48330
0.7474	Intermediate Similarity	NPC205173
0.7474	Intermediate Similarity	NPC33473
0.7474	Intermediate Similarity	NPC210214
0.7474	Intermediate Similarity	NPC222845
0.7474	Intermediate Similarity	NPC470016
0.7474	Intermediate Similarity	NPC195715
0.7474	Intermediate Similarity	NPC162001
0.7474	Intermediate Similarity	NPC317586
0.7474	Intermediate Similarity	NPC241156
0.7474	Intermediate Similarity	NPC45324
0.7473	Intermediate Similarity	NPC233836
0.7473	Intermediate Similarity	NPC474684
0.7473	Intermediate Similarity	NPC142361
0.7473	Intermediate Similarity	NPC38885
0.7473	Intermediate Similarity	NPC187376
0.7473	Intermediate Similarity	NPC162107
0.7473	Intermediate Similarity	NPC128644
0.7473	Intermediate Similarity	NPC46912
0.7473	Intermediate Similarity	NPC159046
0.7471	Intermediate Similarity	NPC195424
0.747	Intermediate Similarity	NPC279241
0.7449	Intermediate Similarity	NPC474327
0.7449	Intermediate Similarity	NPC99411
0.7447	Intermediate Similarity	NPC109414
0.7447	Intermediate Similarity	NPC472225
0.7447	Intermediate Similarity	NPC472226
0.7447	Intermediate Similarity	NPC470254
0.7447	Intermediate Similarity	NPC477435
0.7447	Intermediate Similarity	NPC271652
0.7447	Intermediate Similarity	NPC477436
0.7447	Intermediate Similarity	NPC79117
0.7447	Intermediate Similarity	NPC470224
0.7444	Intermediate Similarity	NPC189311
0.7444	Intermediate Similarity	NPC98270
0.7423	Intermediate Similarity	NPC271387
0.7423	Intermediate Similarity	NPC10364
0.7423	Intermediate Similarity	NPC112753
0.7423	Intermediate Similarity	NPC153792
0.7423	Intermediate Similarity	NPC164349

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC469407 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	149
0.1-0.2	1622
0.2-0.3	4087
0.3-0.4	2210
0.4-0.5	609
0.5-0.6	221
0.6-0.7	217
0.7-0.8	45
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8022	Intermediate Similarity	NPD6399	Phase 3
0.7955	Intermediate Similarity	NPD6409	Approved
0.7955	Intermediate Similarity	NPD6684	Approved
0.7955	Intermediate Similarity	NPD5330	Approved
0.7955	Intermediate Similarity	NPD7146	Approved
0.7955	Intermediate Similarity	NPD7521	Approved
0.7955	Intermediate Similarity	NPD7334	Approved
0.7778	Intermediate Similarity	NPD6903	Approved
0.7778	Intermediate Similarity	NPD6672	Approved
0.7778	Intermediate Similarity	NPD5737	Approved
0.7778	Intermediate Similarity	NPD7513	Clinical (unspecified phase)
0.7556	Intermediate Similarity	NPD6098	Approved
0.75	Intermediate Similarity	NPD6904	Approved
0.75	Intermediate Similarity	NPD6080	Approved
0.75	Intermediate Similarity	NPD6673	Approved
0.734	Intermediate Similarity	NPD6050	Approved
0.7333	Intermediate Similarity	NPD4786	Approved
0.732	Intermediate Similarity	NPD6084	Phase 2
0.732	Intermediate Similarity	NPD6083	Phase 2
0.7292	Intermediate Similarity	NPD6356	Clinical (unspecified phase)
0.7292	Intermediate Similarity	NPD5695	Phase 3
0.7234	Intermediate Similarity	NPD5692	Phase 3
0.7204	Intermediate Similarity	NPD5208	Approved
0.7188	Intermediate Similarity	NPD7901	Clinical (unspecified phase)
0.7188	Intermediate Similarity	NPD7900	Approved
0.7158	Intermediate Similarity	NPD5693	Phase 1
0.7158	Intermediate Similarity	NPD8035	Phase 2
0.7158	Intermediate Similarity	NPD5694	Approved
0.7158	Intermediate Similarity	NPD6411	Approved
0.7158	Intermediate Similarity	NPD8034	Phase 2
0.7157	Intermediate Similarity	NPD7128	Approved
0.7157	Intermediate Similarity	NPD6008	Approved
0.7157	Intermediate Similarity	NPD5739	Approved
0.7157	Intermediate Similarity	NPD6675	Approved
0.7157	Intermediate Similarity	NPD6402	Approved
0.7143	Intermediate Similarity	NPD5777	Approved
0.7143	Intermediate Similarity	NPD3668	Phase 3
0.7128	Intermediate Similarity	NPD6051	Approved
0.7111	Intermediate Similarity	NPD3667	Approved
0.7111	Intermediate Similarity	NPD4752	Clinical (unspecified phase)
0.7071	Intermediate Similarity	NPD5696	Approved
0.7053	Intermediate Similarity	NPD5207	Approved
0.7019	Intermediate Similarity	NPD6899	Approved
0.7019	Intermediate Similarity	NPD6881	Approved
0.7019	Intermediate Similarity	NPD7320	Approved
0.701	Intermediate Similarity	NPD7748	Approved
0.6979	Remote Similarity	NPD5284	Approved
0.6979	Remote Similarity	NPD5281	Approved
0.697	Remote Similarity	NPD7902	Approved
0.6957	Remote Similarity	NPD3665	Phase 1
0.6957	Remote Similarity	NPD3666	Approved
0.6957	Remote Similarity	NPD3133	Approved
0.6952	Remote Similarity	NPD6372	Approved
0.6952	Remote Similarity	NPD6373	Approved
0.6947	Remote Similarity	NPD6101	Approved
0.6947	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.6939	Remote Similarity	NPD5654	Approved
0.6923	Remote Similarity	NPD5701	Approved
0.6923	Remote Similarity	NPD5697	Approved
0.6887	Remote Similarity	NPD7102	Approved
0.6887	Remote Similarity	NPD7290	Approved
0.6887	Remote Similarity	NPD6883	Approved
0.6882	Remote Similarity	NPD1694	Approved
0.6882	Remote Similarity	NPD7520	Clinical (unspecified phase)
0.6857	Remote Similarity	NPD6011	Approved
0.6837	Remote Similarity	NPD6001	Approved
0.6822	Remote Similarity	NPD8130	Phase 1
0.6822	Remote Similarity	NPD6617	Approved
0.6822	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.6822	Remote Similarity	NPD6869	Approved
0.6822	Remote Similarity	NPD6650	Approved
0.6822	Remote Similarity	NPD6649	Approved
0.6822	Remote Similarity	NPD6847	Approved
0.6813	Remote Similarity	NPD4139	Approved
0.6813	Remote Similarity	NPD5369	Approved
0.6813	Remote Similarity	NPD4692	Approved
0.6809	Remote Similarity	NPD3574	Clinical (unspecified phase)
0.6804	Remote Similarity	NPD7515	Phase 2
0.6804	Remote Similarity	NPD7637	Suspended
0.68	Remote Similarity	NPD5959	Approved
0.6792	Remote Similarity	NPD6014	Approved
0.6792	Remote Similarity	NPD6013	Approved
0.6792	Remote Similarity	NPD6012	Approved
0.6771	Remote Similarity	NPD4753	Phase 2
0.6771	Remote Similarity	NPD5328	Approved
0.6759	Remote Similarity	NPD6882	Approved
0.6759	Remote Similarity	NPD8297	Approved
0.6742	Remote Similarity	NPD6116	Phase 1
0.6739	Remote Similarity	NPD4221	Approved
0.6739	Remote Similarity	NPD4223	Phase 3
0.6735	Remote Similarity	NPD5778	Approved
0.6735	Remote Similarity	NPD5779	Approved
0.6735	Remote Similarity	NPD4202	Approved
0.6705	Remote Similarity	NPD3702	Approved
0.6702	Remote Similarity	NPD5329	Approved
0.6667	Remote Similarity	NPD3617	Approved
0.6667	Remote Similarity	NPD7115	Discovery
0.6667	Remote Similarity	NPD5362	Discontinued
0.6635	Remote Similarity	NPD6052	Approved
0.6634	Remote Similarity	NPD4755	Approved
0.6633	Remote Similarity	NPD6079	Approved
0.6632	Remote Similarity	NPD5279	Phase 3
0.6632	Remote Similarity	NPD3618	Phase 1
0.6629	Remote Similarity	NPD6117	Approved
0.6604	Remote Similarity	NPD6412	Phase 2
0.6598	Remote Similarity	NPD7285	Clinical (unspecified phase)
0.6596	Remote Similarity	NPD4197	Approved
0.6591	Remote Similarity	NPD6113	Clinical (unspecified phase)
0.6569	Remote Similarity	NPD7638	Approved
0.6562	Remote Similarity	NPD3573	Approved
0.6559	Remote Similarity	NPD6435	Approved
0.6559	Remote Similarity	NPD4270	Approved
0.6559	Remote Similarity	NPD4269	Approved
0.6531	Remote Similarity	NPD5785	Approved
0.6517	Remote Similarity	NPD7339	Approved
0.6517	Remote Similarity	NPD8039	Approved
0.6517	Remote Similarity	NPD6942	Approved
0.6505	Remote Similarity	NPD5286	Approved
0.6505	Remote Similarity	NPD4700	Approved
0.6505	Remote Similarity	NPD4696	Approved
0.6505	Remote Similarity	NPD7640	Approved
0.6505	Remote Similarity	NPD7639	Approved
0.6505	Remote Similarity	NPD5285	Approved
0.6491	Remote Similarity	NPD6319	Approved
0.6489	Remote Similarity	NPD4788	Approved
0.6484	Remote Similarity	NPD6697	Approved
0.6484	Remote Similarity	NPD6115	Approved
0.6484	Remote Similarity	NPD6114	Approved
0.6484	Remote Similarity	NPD5784	Clinical (unspecified phase)
0.6484	Remote Similarity	NPD6118	Approved
0.646	Remote Similarity	NPD6335	Approved
0.6458	Remote Similarity	NPD4688	Approved
0.6458	Remote Similarity	NPD4693	Phase 3
0.6458	Remote Similarity	NPD4690	Approved
0.6458	Remote Similarity	NPD5280	Approved
0.6458	Remote Similarity	NPD5690	Phase 2
0.6458	Remote Similarity	NPD5205	Approved
0.6458	Remote Similarity	NPD4694	Approved
0.6458	Remote Similarity	NPD5786	Approved
0.6458	Remote Similarity	NPD4138	Approved
0.6458	Remote Similarity	NPD4689	Approved
0.6455	Remote Similarity	NPD6053	Discontinued
0.6449	Remote Similarity	NPD5954	Clinical (unspecified phase)
0.6449	Remote Similarity	NPD6614	Approved
0.6444	Remote Similarity	NPD3701	Clinical (unspecified phase)
0.6442	Remote Similarity	NPD5223	Approved
0.6437	Remote Similarity	NPD4747	Approved
0.6436	Remote Similarity	NPD5210	Approved
0.6436	Remote Similarity	NPD4629	Approved
0.6429	Remote Similarity	NPD6274	Approved
0.641	Remote Similarity	NPD7492	Approved
0.6408	Remote Similarity	NPD4225	Approved
0.6404	Remote Similarity	NPD7101	Approved
0.6404	Remote Similarity	NPD7100	Approved
0.6404	Remote Similarity	NPD5733	Approved
0.6396	Remote Similarity	NPD4632	Approved
0.6381	Remote Similarity	NPD5226	Approved
0.6381	Remote Similarity	NPD7632	Discontinued
0.6381	Remote Similarity	NPD4633	Approved
0.6381	Remote Similarity	NPD5211	Phase 2
0.6381	Remote Similarity	NPD5225	Approved
0.6381	Remote Similarity	NPD5224	Approved
0.6373	Remote Similarity	NPD5222	Approved
0.6373	Remote Similarity	NPD4697	Phase 3
0.6373	Remote Similarity	NPD7732	Phase 3
0.6373	Remote Similarity	NPD5221	Approved
0.6373	Remote Similarity	NPD5220	Clinical (unspecified phase)
0.6372	Remote Similarity	NPD8295	Clinical (unspecified phase)
0.6372	Remote Similarity	NPD6317	Approved
0.6364	Remote Similarity	NPD6081	Approved
0.6356	Remote Similarity	NPD6616	Approved
0.6354	Remote Similarity	NPD5363	Approved
0.6353	Remote Similarity	NPD4224	Phase 2
0.6348	Remote Similarity	NPD6054	Approved
0.6348	Remote Similarity	NPD6059	Approved
0.6344	Remote Similarity	NPD5368	Approved
0.6344	Remote Similarity	NPD4695	Discontinued
0.6344	Remote Similarity	NPD4748	Discontinued
0.6344	Remote Similarity	NPD5790	Clinical (unspecified phase)
0.6344	Remote Similarity	NPD4252	Approved
0.6344	Remote Similarity	NPD7525	Registered
0.633	Remote Similarity	NPD8132	Clinical (unspecified phase)
0.633	Remote Similarity	NPD4061	Clinical (unspecified phase)
0.6322	Remote Similarity	NPD4137	Phase 3
0.6321	Remote Similarity	NPD5175	Approved
0.6321	Remote Similarity	NPD4754	Approved
0.6321	Remote Similarity	NPD5174	Approved
0.6316	Remote Similarity	NPD6313	Approved
0.6316	Remote Similarity	NPD6314	Approved
0.6311	Remote Similarity	NPD5173	Approved
0.6303	Remote Similarity	NPD7078	Approved
0.6303	Remote Similarity	NPD8293	Discontinued
0.6293	Remote Similarity	NPD6908	Approved
0.6293	Remote Similarity	NPD6909	Approved
0.6283	Remote Similarity	NPD6868	Approved
0.6275	Remote Similarity	NPD1698	Clinical (unspecified phase)
0.6273	Remote Similarity	NPD4634	Approved
0.6273	Remote Similarity	NPD5955	Clinical (unspecified phase)
0.6262	Remote Similarity	NPD5141	Approved
0.625	Remote Similarity	NPD4245	Approved

Structure

NPC469407 OpenBabel07101718292D 28 31 0 0 1 0 0 0 0 0999 V2000 1.9879 4.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8946 0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6717 -0.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5987 -2.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9933 4.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4672 -2.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4056 3.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3523 1.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9401 0.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0965 -1.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4795 -2.1381 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 -0.7700 2.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7505 -0.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3578 1.2226 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5388 -0.5000 0.0000 C 0 0 0 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 -2.5334 -0.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 3.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9511 0.3090 0.0000 C 0 0 2 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 1.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7382 -0.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1211 -1.2045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9957 4.6677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7071 -1.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1767 2.9451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 5 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 18 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 12 16 1 0 0 0 0 13 27 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 13 1 6 0 0 0 15 20 1 0 0 0 0 16 18 2 0 0 0 0 17 12 1 6 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 24 1 0 0 0 0 19 25 2 0 0 0 0 19 27 1 0 0 0 0 20 16 1 1 0 0 0 20 21 1 0 0 0 0 21 28 1 6 0 0 0 22 26 2 0 0 0 0 22 28 1 0 0 0 0 24 4 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	44254083
ChEMBL	CHEMBL1078000
ZINC

Physicochemical Properties

Molecular Weight:	388.26
ALogP:	1.2872
MLogP:	3.66
XLogP:	5.603
# Rotatable Bonds:	10
Polar Surface Area:	52.6
# H-Bond Aceptor:	4
# H-Bond Donor:	0
# Rings:	4
# Heavy Atoms:	28

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