NPASS Natural Product

Natural Product: NPC295914

Natural Product ID:	NPC295914
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C21H20O6
Standard InCHIKey:	BFGDXTPDNVNFIQ-LJQHDNKASA-N
Standard InCHI:	InChI=1S/C21H20O6/c1-9-6-20-8-21(9,26)4-3-14(20)12-5-11-13(18(22)23)7-27-17(11)10(2)15(12)16(20)19(24)25/h5,7,14,16,26H,1,3-4,6,8H2,2H3,(H,22,23)(H,24,25)/t14-,16+,20-,21-/m0/s1
Canonical SMILES:	OC(=O)[C@H]1c2c([C@H]3[C@]41CC(=C)[C@](C4)(O)CC3)cc1c(c2C)occ1C(=O)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
NPO31062	Pharbitis nil	NA	NA	NA				PMID[23815260]

Biological Activity

Activity Type	# Activity
IC50	5

Activity Type	# Activity
Cell Line	5

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT146	Cell Line	SK-OV-3	Homo sapiens	IC50	=	4830	nM	8691203
NPT147	Cell Line	SK-MEL-2	Homo sapiens	IC50	=	8360	nM	8691203
NPT81	Cell Line	A549	Homo sapiens	IC50	=	15720	nM	18183025
NPT148	Cell Line	HCT-15	Homo sapiens	IC50	=	6790	nM	9871562
NPT34	Cell Line	BV-2	Mus musculus	IC50	=	32900	nM	9871562

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 NPC295914 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	312
0.1-0.2	1322
0.2-0.3	2226
0.3-0.4	4596
0.4-0.5	8062
0.5-0.6	4649
0.6-0.7	5430
0.7-0.8	4084
0.8-0.85	200
0.85-0.9	8
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8639	High Similarity	NPC24761
0.8623	High Similarity	NPC221992
0.858	High Similarity	NPC472781
0.858	High Similarity	NPC472782
0.8529	High Similarity	NPC472780
0.8529	High Similarity	NPC472783
0.8523	High Similarity	NPC472661
0.8521	High Similarity	NPC472299
0.8497	Intermediate Similarity	NPC472660
0.8488	Intermediate Similarity	NPC472784
0.8462	Intermediate Similarity	NPC123153
0.8434	Intermediate Similarity	NPC144010
0.843	Intermediate Similarity	NPC100849
0.8424	Intermediate Similarity	NPC211625
0.8412	Intermediate Similarity	NPC477692
0.8402	Intermediate Similarity	NPC81405
0.8402	Intermediate Similarity	NPC180924
0.8402	Intermediate Similarity	NPC474360
0.8393	Intermediate Similarity	NPC179170
0.8393	Intermediate Similarity	NPC290927
0.8389	Intermediate Similarity	NPC472663
0.8389	Intermediate Similarity	NPC472662
0.8383	Intermediate Similarity	NPC145830
0.8382	Intermediate Similarity	NPC136641
0.8353	Intermediate Similarity	NPC164110
0.8353	Intermediate Similarity	NPC260902
0.8353	Intermediate Similarity	NPC246647
0.8353	Intermediate Similarity	NPC212967
0.8353	Intermediate Similarity	NPC140952
0.8353	Intermediate Similarity	NPC296957
0.8353	Intermediate Similarity	NPC96342
0.8333	Intermediate Similarity	NPC10429
0.8333	Intermediate Similarity	NPC114880
0.8333	Intermediate Similarity	NPC125465
0.8333	Intermediate Similarity	NPC255787
0.8324	Intermediate Similarity	NPC308156
0.8314	Intermediate Similarity	NPC224394
0.8314	Intermediate Similarity	NPC663
0.8303	Intermediate Similarity	NPC224418
0.8294	Intermediate Similarity	NPC160015
0.8294	Intermediate Similarity	NPC247677
0.8286	Intermediate Similarity	NPC44602
0.8284	Intermediate Similarity	NPC75310
0.8284	Intermediate Similarity	NPC477669
0.8266	Intermediate Similarity	NPC56358
0.8266	Intermediate Similarity	NPC472664
0.8263	Intermediate Similarity	NPC472298
0.8256	Intermediate Similarity	NPC143050
0.8256	Intermediate Similarity	NPC47623
0.8246	Intermediate Similarity	NPC263483
0.8246	Intermediate Similarity	NPC299094
0.8246	Intermediate Similarity	NPC270044
0.8246	Intermediate Similarity	NPC10051
0.8242	Intermediate Similarity	NPC62799
0.8235	Intermediate Similarity	NPC104736
0.8235	Intermediate Similarity	NPC89625
0.8235	Intermediate Similarity	NPC474542
0.8235	Intermediate Similarity	NPC149618
0.8235	Intermediate Similarity	NPC148938
0.8229	Intermediate Similarity	NPC165460
0.8229	Intermediate Similarity	NPC291742
0.8229	Intermediate Similarity	NPC191012
0.8225	Intermediate Similarity	NPC263676
0.8225	Intermediate Similarity	NPC44606
0.8225	Intermediate Similarity	NPC24232
0.8225	Intermediate Similarity	NPC253872
0.8218	Intermediate Similarity	NPC132054
0.8214	Intermediate Similarity	NPC119929
0.8208	Intermediate Similarity	NPC269117
0.8208	Intermediate Similarity	NPC304387
0.8202	Intermediate Similarity	NPC167340
0.8198	Intermediate Similarity	NPC287559
0.8198	Intermediate Similarity	NPC476349
0.8198	Intermediate Similarity	NPC476350
0.8193	Intermediate Similarity	NPC281398
0.8187	Intermediate Similarity	NPC477674
0.8187	Intermediate Similarity	NPC304692
0.8176	Intermediate Similarity	NPC477691
0.8176	Intermediate Similarity	NPC235333
0.8176	Intermediate Similarity	NPC88958
0.8171	Intermediate Similarity	NPC41689
0.8171	Intermediate Similarity	NPC316262
0.8171	Intermediate Similarity	NPC270312
0.8171	Intermediate Similarity	NPC279768
0.8171	Intermediate Similarity	NPC314653
0.8166	Intermediate Similarity	NPC475777
0.8166	Intermediate Similarity	NPC58668
0.8166	Intermediate Similarity	NPC477673
0.8166	Intermediate Similarity	NPC106372
0.8166	Intermediate Similarity	NPC477672
0.8161	Intermediate Similarity	NPC144843
0.815	Intermediate Similarity	NPC313368
0.815	Intermediate Similarity	NPC115432
0.815	Intermediate Similarity	NPC260296
0.815	Intermediate Similarity	NPC21046
0.8146	Intermediate Similarity	NPC307286
0.8146	Intermediate Similarity	NPC91650
0.8144	Intermediate Similarity	NPC19747
0.814	Intermediate Similarity	NPC158542
0.814	Intermediate Similarity	NPC268360
0.814	Intermediate Similarity	NPC269495
0.814	Intermediate Similarity	NPC272196
0.8129	Intermediate Similarity	NPC213936
0.8129	Intermediate Similarity	NPC297531
0.8129	Intermediate Similarity	NPC41880
0.8125	Intermediate Similarity	NPC53640
0.8125	Intermediate Similarity	NPC296558
0.8125	Intermediate Similarity	NPC298071
0.8122	Intermediate Similarity	NPC70318
0.8118	Intermediate Similarity	NPC273483
0.8118	Intermediate Similarity	NPC40356
0.8118	Intermediate Similarity	NPC67654
0.8118	Intermediate Similarity	NPC271681
0.8118	Intermediate Similarity	NPC477690
0.8118	Intermediate Similarity	NPC207624
0.8118	Intermediate Similarity	NPC154683
0.8118	Intermediate Similarity	NPC217447
0.8114	Intermediate Similarity	NPC155640
0.8114	Intermediate Similarity	NPC121995
0.8111	Intermediate Similarity	NPC312630
0.8111	Intermediate Similarity	NPC324220
0.8107	Intermediate Similarity	NPC472406
0.8103	Intermediate Similarity	NPC165218
0.8095	Intermediate Similarity	NPC172329
0.8095	Intermediate Similarity	NPC2569
0.8095	Intermediate Similarity	NPC95526
0.8092	Intermediate Similarity	NPC472877
0.8092	Intermediate Similarity	NPC218818
0.8092	Intermediate Similarity	NPC244750
0.809	Intermediate Similarity	NPC120220
0.809	Intermediate Similarity	NPC477573
0.809	Intermediate Similarity	NPC477572
0.809	Intermediate Similarity	NPC477571
0.8081	Intermediate Similarity	NPC4547
0.8072	Intermediate Similarity	NPC471305
0.807	Intermediate Similarity	NPC158261
0.807	Intermediate Similarity	NPC42458
0.807	Intermediate Similarity	NPC183874
0.807	Intermediate Similarity	NPC208806
0.807	Intermediate Similarity	NPC472786
0.807	Intermediate Similarity	NPC472785
0.8059	Intermediate Similarity	NPC156244
0.8059	Intermediate Similarity	NPC474417
0.8059	Intermediate Similarity	NPC75906
0.8059	Intermediate Similarity	NPC116604
0.8059	Intermediate Similarity	NPC193976
0.8059	Intermediate Similarity	NPC170169
0.8059	Intermediate Similarity	NPC23668
0.8059	Intermediate Similarity	NPC149526
0.8059	Intermediate Similarity	NPC133856
0.8059	Intermediate Similarity	NPC115324
0.8057	Intermediate Similarity	NPC261184
0.8057	Intermediate Similarity	NPC193998
0.8056	Intermediate Similarity	NPC472665
0.8047	Intermediate Similarity	NPC178202
0.8047	Intermediate Similarity	NPC233267
0.8047	Intermediate Similarity	NPC291049
0.8047	Intermediate Similarity	NPC226578
0.8046	Intermediate Similarity	NPC304839
0.8046	Intermediate Similarity	NPC472767
0.8046	Intermediate Similarity	NPC49009
0.8046	Intermediate Similarity	NPC470810
0.8046	Intermediate Similarity	NPC220582
0.8046	Intermediate Similarity	NPC18986
0.8045	Intermediate Similarity	NPC472584
0.8045	Intermediate Similarity	NPC471437
0.8036	Intermediate Similarity	NPC137296
0.8036	Intermediate Similarity	NPC66991
0.8035	Intermediate Similarity	NPC44199
0.8035	Intermediate Similarity	NPC196448
0.8035	Intermediate Similarity	NPC474611
0.8034	Intermediate Similarity	NPC191653
0.8034	Intermediate Similarity	NPC294512
0.8033	Intermediate Similarity	NPC475656
0.8033	Intermediate Similarity	NPC228209
0.8033	Intermediate Similarity	NPC475148
0.8033	Intermediate Similarity	NPC470332
0.8024	Intermediate Similarity	NPC75694
0.8024	Intermediate Similarity	NPC233763
0.8023	Intermediate Similarity	NPC471456
0.8023	Intermediate Similarity	NPC477687
0.8023	Intermediate Similarity	NPC99199
0.8023	Intermediate Similarity	NPC477671
0.8023	Intermediate Similarity	NPC472895
0.8023	Intermediate Similarity	NPC198490
0.8012	Intermediate Similarity	NPC38361
0.8012	Intermediate Similarity	NPC142308
0.8012	Intermediate Similarity	NPC158871
0.8012	Intermediate Similarity	NPC117674
0.8012	Intermediate Similarity	NPC5871
0.8012	Intermediate Similarity	NPC130015
0.8012	Intermediate Similarity	NPC87708
0.8011	Intermediate Similarity	NPC478178
0.8011	Intermediate Similarity	NPC149945
0.8	Intermediate Similarity	NPC230713
0.8	Intermediate Similarity	NPC78335
0.8	Intermediate Similarity	NPC191104
0.8	Intermediate Similarity	NPC167576
0.8	Intermediate Similarity	NPC14822
0.8	Intermediate Similarity	NPC285567

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC295914 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	324
0.1-0.2	960
0.2-0.3	1653
0.3-0.4	2556
0.4-0.5	2152
0.5-0.6	1048
0.6-0.7	365
0.7-0.8	99
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
0.8047	Intermediate Similarity	NPD3226	Approved
0.8024	Intermediate Similarity	NPD2532	Approved
0.8024	Intermediate Similarity	NPD2534	Approved
0.8024	Intermediate Similarity	NPD2533	Approved
0.7989	Intermediate Similarity	NPD5537	Clinical (unspecified phase)
0.7965	Intermediate Similarity	NPD5760	Phase 2
0.7965	Intermediate Similarity	NPD5761	Phase 2
0.7861	Intermediate Similarity	NPD7819	Suspended
0.7824	Intermediate Similarity	NPD920	Approved
0.7818	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7784	Intermediate Similarity	NPD8434	Phase 2
0.7727	Intermediate Similarity	NPD3749	Approved
0.7722	Intermediate Similarity	NPD7473	Discontinued
0.7711	Intermediate Similarity	NPD2346	Discontinued
0.7706	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7705	Intermediate Similarity	NPD6559	Discontinued
0.768	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.7654	Intermediate Similarity	NPD6232	Discontinued
0.7644	Intermediate Similarity	NPD7411	Suspended
0.7619	Intermediate Similarity	NPD2800	Approved
0.7619	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7605	Intermediate Similarity	NPD2344	Approved
0.7598	Intermediate Similarity	NPD6959	Discontinued
0.7588	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7586	Intermediate Similarity	NPD6599	Discontinued
0.7515	Intermediate Similarity	NPD1243	Approved
0.7514	Intermediate Similarity	NPD6765	Approved
0.7514	Intermediate Similarity	NPD6764	Approved
0.75	Intermediate Similarity	NPD1471	Phase 3
0.75	Intermediate Similarity	NPD1247	Approved
0.75	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7486	Intermediate Similarity	NPD919	Approved
0.7485	Intermediate Similarity	NPD2799	Discontinued
0.7473	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7471	Intermediate Similarity	NPD4628	Phase 3
0.7459	Intermediate Similarity	NPD5710	Approved
0.7459	Intermediate Similarity	NPD5711	Approved
0.7457	Intermediate Similarity	NPD6273	Approved
0.7456	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7446	Intermediate Similarity	NPD5844	Phase 1
0.744	Intermediate Similarity	NPD2935	Discontinued
0.7427	Intermediate Similarity	NPD2309	Approved
0.7416	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7399	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.736	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.736	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7354	Intermediate Similarity	NPD6784	Approved
0.7354	Intermediate Similarity	NPD6785	Approved
0.7348	Intermediate Similarity	NPD5494	Approved
0.7337	Intermediate Similarity	NPD1551	Phase 2
0.7333	Intermediate Similarity	NPD7075	Discontinued
0.733	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7299	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7278	Intermediate Similarity	NPD3882	Suspended
0.7278	Intermediate Similarity	NPD7768	Phase 2
0.7268	Intermediate Similarity	NPD6808	Phase 2
0.7267	Intermediate Similarity	NPD7003	Approved
0.7267	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7254	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7241	Intermediate Similarity	NPD6799	Approved
0.7229	Intermediate Similarity	NPD2313	Discontinued
0.7228	Intermediate Similarity	NPD3926	Phase 2
0.7207	Intermediate Similarity	NPD6801	Discontinued
0.7193	Intermediate Similarity	NPD6004	Phase 3
0.7193	Intermediate Similarity	NPD6002	Phase 3
0.7193	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7193	Intermediate Similarity	NPD6005	Phase 3
0.7193	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7174	Intermediate Similarity	NPD7229	Phase 3
0.7168	Intermediate Similarity	NPD3750	Approved
0.716	Intermediate Similarity	NPD1607	Approved
0.7158	Intermediate Similarity	NPD8313	Approved
0.7158	Intermediate Similarity	NPD8312	Approved
0.7151	Intermediate Similarity	NPD1549	Phase 2
0.7135	Intermediate Similarity	NPD5408	Approved
0.7135	Intermediate Similarity	NPD7458	Discontinued
0.7135	Intermediate Similarity	NPD5404	Approved
0.7135	Intermediate Similarity	NPD5406	Approved
0.7135	Intermediate Similarity	NPD5405	Approved
0.7135	Intermediate Similarity	NPD6099	Approved
0.7135	Intermediate Similarity	NPD6100	Approved
0.7135	Intermediate Similarity	NPD2796	Approved
0.7127	Intermediate Similarity	NPD3817	Phase 2
0.7126	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.712	Intermediate Similarity	NPD7199	Phase 2
0.7112	Intermediate Similarity	NPD3818	Discontinued
0.7111	Intermediate Similarity	NPD1934	Approved
0.7095	Intermediate Similarity	NPD4380	Phase 2
0.7093	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7093	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.709	Intermediate Similarity	NPD5953	Discontinued
0.7088	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7083	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7076	Intermediate Similarity	NPD1510	Phase 2
0.7072	Intermediate Similarity	NPD2801	Approved
0.7062	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD6651	Approved
0.7043	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7041	Intermediate Similarity	NPD1240	Approved
0.7024	Intermediate Similarity	NPD3268	Approved
0.7021	Intermediate Similarity	NPD7177	Discontinued
0.7006	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.6995	Remote Similarity	NPD4966	Approved
0.6995	Remote Similarity	NPD4967	Phase 2
0.6995	Remote Similarity	NPD4965	Approved
0.6984	Remote Similarity	NPD7286	Phase 2
0.6978	Remote Similarity	NPD1465	Phase 2
0.6977	Remote Similarity	NPD3748	Approved
0.6977	Remote Similarity	NPD7033	Discontinued
0.6974	Remote Similarity	NPD4287	Approved
0.697	Remote Similarity	NPD1283	Approved
0.697	Remote Similarity	NPD1876	Approved
0.6959	Remote Similarity	NPD8150	Discontinued
0.6957	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.695	Remote Similarity	NPD8285	Discontinued
0.6949	Remote Similarity	NPD7390	Discontinued
0.6949	Remote Similarity	NPD1511	Approved
0.6941	Remote Similarity	NPD2979	Phase 3
0.694	Remote Similarity	NPD5402	Approved
0.694	Remote Similarity	NPD2296	Approved
0.6935	Remote Similarity	NPD8127	Discontinued
0.6923	Remote Similarity	NPD6279	Approved
0.6923	Remote Similarity	NPD3764	Approved
0.6923	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD37	Approved
0.6923	Remote Similarity	NPD6280	Approved
0.6919	Remote Similarity	NPD6234	Discontinued
0.6905	Remote Similarity	NPD6832	Phase 2
0.6901	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD7435	Discontinued
0.6893	Remote Similarity	NPD7236	Approved
0.6882	Remote Similarity	NPD8032	Phase 2
0.6879	Remote Similarity	NPD4308	Phase 3
0.6875	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6872	Remote Similarity	NPD1512	Approved
0.6848	Remote Similarity	NPD3972	Approved
0.6848	Remote Similarity	NPD5616	Clinical (unspecified phase)
0.6848	Remote Similarity	NPD1608	Approved
0.6842	Remote Similarity	NPD3751	Discontinued
0.6842	Remote Similarity	NPD4140	Approved
0.6842	Remote Similarity	NPD7799	Discontinued
0.6839	Remote Similarity	NPD4419	Clinical (unspecified phase)
0.6832	Remote Similarity	NPD6781	Approved
0.6832	Remote Similarity	NPD6778	Approved
0.6832	Remote Similarity	NPD6782	Approved
0.6832	Remote Similarity	NPD6777	Approved
0.6832	Remote Similarity	NPD6780	Approved
0.6832	Remote Similarity	NPD6779	Approved
0.6832	Remote Similarity	NPD6776	Approved
0.6826	Remote Similarity	NPD1203	Approved
0.6825	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6825	Remote Similarity	NPD6166	Phase 2
0.6825	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6824	Remote Similarity	NPD411	Approved
0.6812	Remote Similarity	NPD8151	Discontinued
0.6809	Remote Similarity	NPD7315	Approved
0.6806	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.6802	Remote Similarity	NPD447	Suspended
0.68	Remote Similarity	NPD5763	Approved
0.68	Remote Similarity	NPD5762	Approved
0.6796	Remote Similarity	NPD7239	Suspended
0.6788	Remote Similarity	NPD1281	Approved
0.6788	Remote Similarity	NPD7685	Pre-registration
0.6786	Remote Similarity	NPD6007	Clinical (unspecified phase)
0.6784	Remote Similarity	NPD6663	Approved
0.6771	Remote Similarity	NPD7074	Phase 3
0.676	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6753	Remote Similarity	NPD4338	Clinical (unspecified phase)
0.6747	Remote Similarity	NPD9717	Approved
0.6746	Remote Similarity	NPD7782	Clinical (unspecified phase)
0.6746	Remote Similarity	NPD7783	Phase 2
0.6745	Remote Similarity	NPD8404	Phase 2
0.6744	Remote Similarity	NPD4060	Phase 1
0.6743	Remote Similarity	NPD2438	Suspended
0.674	Remote Similarity	NPD5403	Approved
0.6736	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6732	Remote Similarity	NPD7698	Approved
0.6732	Remote Similarity	NPD7697	Approved
0.6732	Remote Similarity	NPD7696	Phase 3
0.673	Remote Similarity	NPD7930	Approved
0.6726	Remote Similarity	NPD3267	Approved
0.6726	Remote Similarity	NPD1470	Approved
0.6726	Remote Similarity	NPD2797	Approved
0.6726	Remote Similarity	NPD3266	Approved
0.6721	Remote Similarity	NPD7028	Phase 2
0.6719	Remote Similarity	NPD7054	Approved
0.6705	Remote Similarity	NPD6355	Discontinued
0.6701	Remote Similarity	NPD3658	Clinical (unspecified phase)
0.6699	Remote Similarity	NPD7874	Approved
0.6699	Remote Similarity	NPD7870	Phase 2
0.6699	Remote Similarity	NPD7875	Clinical (unspecified phase)
0.6699	Remote Similarity	NPD7871	Phase 2
0.6686	Remote Similarity	NPD2798	Approved
0.6685	Remote Similarity	NPD5889	Approved
0.6685	Remote Similarity	NPD5890	Approved
0.6684	Remote Similarity	NPD7472	Approved
0.6667	Remote Similarity	NPD5952	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD4625	Phase 3
0.6667	Remote Similarity	NPD4626	Approved

Structure

NPC295914 OpenBabel07101719402D 27 31 0 0 1 0 0 0 0 0999 V2000 5.6136 -0.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3085 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8085 -1.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4707 -2.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3085 -1.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9597 -0.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4233 -0.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1298 -1.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6177 -0.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3085 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6848 -0.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9321 -0.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6169 -1.1651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9321 -0.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6169 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6848 -0.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -2.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0402 -0.5826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1048 -1.8011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2872 -2.3241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3601 -2.8593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9041 1.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2568 1.6942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9337 -2.3605 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 1 9 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 4 21 1 0 0 0 0 5 11 1 0 0 0 0 5 12 2 0 0 0 0 6 9 1 0 0 0 0 7 13 2 0 0 0 0 7 27 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 21 1 0 0 0 0 10 15 2 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 11 17 2 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 18 1 0 0 0 0 14 20 1 1 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 6 0 0 0 17 27 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 6 1 6 0 0 0 21 26 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	71747151
ChEMBL	CHEMBL2407168
ZINC

Physicochemical Properties

Molecular Weight:	368.13
ALogP:	0.4182
MLogP:	3.11
XLogP:	1.251
# Rotatable Bonds:	6
Polar Surface Area:	107.97
# H-Bond Aceptor:	5
# H-Bond Donor:	3
# Rings:	5
# Heavy Atoms:	27

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs