NPASS Natural Product

Natural Product: NPC188420

Natural Product ID:	NPC188420
Common Name:	Nomitidine
IUPAC Name:	2,3-dimethoxy-[1,3]benzodioxolo[5,6-c]phenanthridine
Synonyms:
Molecular Formula:	C20H15NO4
Standard InCHIKey:	LMLYRQCAWCJVML-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C20H15NO4/c1-22-16-6-12-9-21-20-13(14(12)7-17(16)23-2)4-3-11-5-18-19(8-15(11)20)25-10-24-18/h3-9H,10H2,1-2H3
Canonical SMILES:	COc1cc2cnc3c(c2cc1OC)ccc1c3cc2OCOc2c1
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
NPO14713	Bauhinia retusa	Species	Fabaceae	Eukaryota				UNPD*
NPO17489	Myoporum acuminatum	Species	Scrophulariaceae	Eukaryota				UNPD*

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
NPT393	Cell Line	HCT-116	Homo sapiens	IC50	>	10000	nM	26026362
NPT116	Cell Line	HL-60	Homo sapiens	IC50	>	10000	nM	26026362

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 NPC188420 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	501
0.1-0.2	2137
0.2-0.3	9148
0.3-0.4	3996
0.4-0.5	10131
0.5-0.6	3296
0.6-0.7	1369
0.7-0.8	258
0.8-0.85	26
0.85-0.9	15
0.9-0.95	5
0.95-1	7

Similarity Score	Similarity Level	Natural Product ID
0.9841	High Similarity	NPC149471
0.9841	High Similarity	NPC271215
0.9789	High Similarity	NPC235076
0.9637	High Similarity	NPC100079
0.9637	High Similarity	NPC204446
0.9637	High Similarity	NPC23614
0.9588	High Similarity	NPC46451
0.9442	High Similarity	NPC118121
0.9206	High Similarity	NPC234197
0.9179	High Similarity	NPC251160
0.9021	High Similarity	NPC313189
0.9005	High Similarity	NPC477019
0.8923	High Similarity	NPC135549
0.8889	High Similarity	NPC296482
0.8889	High Similarity	NPC53069
0.8889	High Similarity	NPC202768
0.8794	High Similarity	NPC96405
0.8794	High Similarity	NPC171409
0.8737	High Similarity	NPC133140
0.8737	High Similarity	NPC195268
0.8667	High Similarity	NPC31930
0.866	High Similarity	NPC476582
0.866	High Similarity	NPC476578
0.866	High Similarity	NPC4071
0.8535	High Similarity	NPC476581
0.8535	High Similarity	NPC36229
0.8535	High Similarity	NPC16452
0.8491	Intermediate Similarity	NPC22481
0.8436	Intermediate Similarity	NPC278525
0.8411	Intermediate Similarity	NPC108342
0.8404	Intermediate Similarity	NPC287588
0.8372	Intermediate Similarity	NPC182907
0.8372	Intermediate Similarity	NPC189903
0.836	Intermediate Similarity	NPC206201
0.8333	Intermediate Similarity	NPC166722
0.8325	Intermediate Similarity	NPC290689
0.8284	Intermediate Similarity	NPC208284
0.8281	Intermediate Similarity	NPC204385
0.8272	Intermediate Similarity	NPC179704
0.8244	Intermediate Similarity	NPC202605
0.8244	Intermediate Similarity	NPC112206
0.8238	Intermediate Similarity	NPC122463
0.823	Intermediate Similarity	NPC174049
0.8194	Intermediate Similarity	NPC253675
0.8174	Intermediate Similarity	NPC210296
0.8152	Intermediate Similarity	NPC210434
0.8146	Intermediate Similarity	NPC470020
0.8145	Intermediate Similarity	NPC124313
0.8136	Intermediate Similarity	NPC84164
0.8136	Intermediate Similarity	NPC207283
0.8135	Intermediate Similarity	NPC249405
0.8009	Intermediate Similarity	NPC24019
0.8	Intermediate Similarity	NPC312872
0.797	Intermediate Similarity	NPC474904
0.797	Intermediate Similarity	NPC312531
0.7965	Intermediate Similarity	NPC183537
0.7943	Intermediate Similarity	NPC266931
0.7943	Intermediate Similarity	NPC236668
0.7943	Intermediate Similarity	NPC162530
0.794	Intermediate Similarity	NPC302001
0.7921	Intermediate Similarity	NPC287437
0.7915	Intermediate Similarity	NPC473513
0.7905	Intermediate Similarity	NPC146976
0.7885	Intermediate Similarity	NPC77878
0.7861	Intermediate Similarity	NPC162653
0.7854	Intermediate Similarity	NPC233334
0.7833	Intermediate Similarity	NPC212163
0.7828	Intermediate Similarity	NPC295228
0.7816	Intermediate Similarity	NPC285558
0.7797	Intermediate Similarity	NPC270515
0.7793	Intermediate Similarity	NPC173080
0.7793	Intermediate Similarity	NPC473822
0.7788	Intermediate Similarity	NPC470018
0.7783	Intermediate Similarity	NPC23080
0.7783	Intermediate Similarity	NPC90875
0.7783	Intermediate Similarity	NPC193906
0.7778	Intermediate Similarity	NPC304183
0.7778	Intermediate Similarity	NPC470164
0.7778	Intermediate Similarity	NPC24954
0.7778	Intermediate Similarity	NPC323345
0.7768	Intermediate Similarity	NPC217554
0.7756	Intermediate Similarity	NPC295676
0.7752	Intermediate Similarity	NPC74575
0.7743	Intermediate Similarity	NPC284141
0.7738	Intermediate Similarity	NPC255800
0.7738	Intermediate Similarity	NPC96584
0.7732	Intermediate Similarity	NPC285941
0.7679	Intermediate Similarity	NPC11408
0.7674	Intermediate Similarity	NPC148409
0.7647	Intermediate Similarity	NPC201508
0.7644	Intermediate Similarity	NPC244606
0.7644	Intermediate Similarity	NPC156728
0.763	Intermediate Similarity	NPC123976
0.763	Intermediate Similarity	NPC167860
0.7624	Intermediate Similarity	NPC280964
0.7624	Intermediate Similarity	NPC141915
0.7624	Intermediate Similarity	NPC114335
0.7621	Intermediate Similarity	NPC15406
0.7621	Intermediate Similarity	NPC176538
0.7614	Intermediate Similarity	NPC190461
0.7613	Intermediate Similarity	NPC49547
0.7589	Intermediate Similarity	NPC470017
0.7571	Intermediate Similarity	NPC474595
0.7569	Intermediate Similarity	NPC280272
0.7568	Intermediate Similarity	NPC476999
0.7562	Intermediate Similarity	NPC296527
0.7559	Intermediate Similarity	NPC316981
0.7557	Intermediate Similarity	NPC476997
0.7556	Intermediate Similarity	NPC470022
0.7547	Intermediate Similarity	NPC11464
0.7536	Intermediate Similarity	NPC82548
0.7525	Intermediate Similarity	NPC76748
0.7523	Intermediate Similarity	NPC476996
0.7523	Intermediate Similarity	NPC476998
0.7512	Intermediate Similarity	NPC213530
0.7512	Intermediate Similarity	NPC475774
0.7512	Intermediate Similarity	NPC193267
0.7512	Intermediate Similarity	NPC251090
0.75	Intermediate Similarity	NPC232727
0.75	Intermediate Similarity	NPC307963
0.7488	Intermediate Similarity	NPC92111
0.7479	Intermediate Similarity	NPC132385
0.7477	Intermediate Similarity	NPC476994
0.7476	Intermediate Similarity	NPC224928
0.7466	Intermediate Similarity	NPC214980
0.7466	Intermediate Similarity	NPC200888
0.7463	Intermediate Similarity	NPC276674
0.7463	Intermediate Similarity	NPC33902
0.7454	Intermediate Similarity	NPC170114
0.7448	Intermediate Similarity	NPC477559
0.7448	Intermediate Similarity	NPC232924
0.7448	Intermediate Similarity	NPC160298
0.7448	Intermediate Similarity	NPC266753
0.7448	Intermediate Similarity	NPC306902
0.7438	Intermediate Similarity	NPC296742
0.7435	Intermediate Similarity	NPC208522
0.7422	Intermediate Similarity	NPC470889
0.7418	Intermediate Similarity	NPC174758
0.7407	Intermediate Similarity	NPC470549
0.7389	Intermediate Similarity	NPC320088
0.7389	Intermediate Similarity	NPC224293
0.7385	Intermediate Similarity	NPC476432
0.7385	Intermediate Similarity	NPC24264
0.7383	Intermediate Similarity	NPC199667
0.7381	Intermediate Similarity	NPC199277
0.7381	Intermediate Similarity	NPC135887
0.7376	Intermediate Similarity	NPC322482
0.7368	Intermediate Similarity	NPC315957
0.7368	Intermediate Similarity	NPC11017
0.7353	Intermediate Similarity	NPC112676
0.7347	Intermediate Similarity	NPC247389
0.7346	Intermediate Similarity	NPC476138
0.7346	Intermediate Similarity	NPC245816
0.734	Intermediate Similarity	NPC69213
0.7336	Intermediate Similarity	NPC185782
0.7336	Intermediate Similarity	NPC201697
0.7336	Intermediate Similarity	NPC473181
0.7333	Intermediate Similarity	NPC16805
0.7333	Intermediate Similarity	NPC302527
0.7333	Intermediate Similarity	NPC167546
0.7333	Intermediate Similarity	NPC225774
0.733	Intermediate Similarity	NPC26850
0.7325	Intermediate Similarity	NPC476995
0.7324	Intermediate Similarity	NPC193777
0.7315	Intermediate Similarity	NPC473180
0.7315	Intermediate Similarity	NPC26679
0.7315	Intermediate Similarity	NPC94157
0.7311	Intermediate Similarity	NPC118832
0.7311	Intermediate Similarity	NPC164374
0.7311	Intermediate Similarity	NPC165349
0.7311	Intermediate Similarity	NPC47059
0.7311	Intermediate Similarity	NPC137929
0.7311	Intermediate Similarity	NPC264166
0.7311	Intermediate Similarity	NPC274291
0.7311	Intermediate Similarity	NPC329708
0.7308	Intermediate Similarity	NPC267928
0.7296	Intermediate Similarity	NPC304659
0.7296	Intermediate Similarity	NPC86144
0.7296	Intermediate Similarity	NPC219341
0.7295	Intermediate Similarity	NPC131017
0.729	Intermediate Similarity	NPC470931
0.7282	Intermediate Similarity	NPC189470
0.7281	Intermediate Similarity	NPC474594
0.7273	Intermediate Similarity	NPC17565
0.7269	Intermediate Similarity	NPC473182
0.7264	Intermediate Similarity	NPC223427
0.7264	Intermediate Similarity	NPC474798
0.726	Intermediate Similarity	NPC473053
0.7259	Intermediate Similarity	NPC210918
0.7259	Intermediate Similarity	NPC298979
0.7256	Intermediate Similarity	NPC174672
0.7251	Intermediate Similarity	NPC267423
0.7249	Intermediate Similarity	NPC473183
0.7246	Intermediate Similarity	NPC78284
0.7246	Intermediate Similarity	NPC329541
0.7245	Intermediate Similarity	NPC168409
0.724	Intermediate Similarity	NPC76079
0.7232	Intermediate Similarity	NPC202503
0.7229	Intermediate Similarity	NPC99891
0.7228	Intermediate Similarity	NPC176127

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC188420 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	287
0.1-0.2	741
0.2-0.3	966
0.3-0.4	1413
0.4-0.5	2674
0.5-0.6	2175
0.6-0.7	781
0.7-0.8	115
0.8-0.85	2
0.85-0.9	6
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9588	High Similarity	NPD3763	Approved
0.8889	High Similarity	NPD3815	Phase 1
0.8889	High Similarity	NPD3816	Phase 1
0.8737	High Similarity	NPD3922	Approved
0.8737	High Similarity	NPD3923	Approved
0.8737	High Similarity	NPD3921	Approved
0.8737	High Similarity	NPD3924	Approved
0.8158	Intermediate Similarity	NPD3920	Phase 2
0.8065	Intermediate Similarity	NPD6494	Phase 2
0.7868	Intermediate Similarity	NPD6257	Clinical (unspecified phase)
0.7795	Intermediate Similarity	NPD7414	Clinical (unspecified phase)
0.7788	Intermediate Similarity	NPD5658	Approved
0.7656	Intermediate Similarity	NPD7222	Phase 2
0.7635	Intermediate Similarity	NPD4418	Discontinued
0.7613	Intermediate Similarity	NPD4885	Approved
0.7612	Intermediate Similarity	NPD6281	Approved
0.7606	Intermediate Similarity	NPD7571	Clinical (unspecified phase)
0.7588	Intermediate Similarity	NPD4889	Approved
0.7588	Intermediate Similarity	NPD6230	Discontinued
0.7586	Intermediate Similarity	NPD4926	Clinical (unspecified phase)
0.7559	Intermediate Similarity	NPD7069	Discontinued
0.7545	Intermediate Similarity	NPD6963	Approved
0.7545	Intermediate Similarity	NPD6964	Approved
0.7538	Intermediate Similarity	NPD1923	Clinical (unspecified phase)
0.7524	Intermediate Similarity	NPD5530	Phase 1
0.7523	Intermediate Similarity	NPD7567	Approved
0.75	Intermediate Similarity	NPD1038	Approved
0.75	Intermediate Similarity	NPD1304	Clinical (unspecified phase)
0.7476	Intermediate Similarity	NPD4795	Phase 2
0.7454	Intermediate Similarity	NPD5612	Discontinued
0.7452	Intermediate Similarity	NPD6219	Discontinued
0.7407	Intermediate Similarity	NPD6140	Clinical (unspecified phase)
0.7406	Intermediate Similarity	NPD5429	Discontinued
0.7406	Intermediate Similarity	NPD7452	Approved
0.7406	Intermediate Similarity	NPD7453	Approved
0.7399	Intermediate Similarity	NPD7555	Discontinued
0.7397	Intermediate Similarity	NPD5070	Clinical (unspecified phase)
0.7381	Intermediate Similarity	NPD6975	Discontinued
0.7381	Intermediate Similarity	NPD6477	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD1739	Approved
0.7368	Intermediate Similarity	NPD1740	Approved
0.7366	Intermediate Similarity	NPD6569	Phase 2
0.7347	Intermediate Similarity	NPD1078	Clinical (unspecified phase)
0.7345	Intermediate Similarity	NPD7558	Phase 2
0.7321	Intermediate Similarity	NPD4118	Clinical (unspecified phase)
0.7311	Intermediate Similarity	NPD4035	Approved
0.7311	Intermediate Similarity	NPD4034	Approved
0.7311	Intermediate Similarity	NPD4038	Approved
0.7311	Intermediate Similarity	NPD4033	Approved
0.7311	Intermediate Similarity	NPD32	Approved
0.7311	Intermediate Similarity	NPD31	Approved
0.7311	Intermediate Similarity	NPD4037	Approved
0.7311	Intermediate Similarity	NPD4039	Approved
0.7311	Intermediate Similarity	NPD4122	Approved
0.7311	Intermediate Similarity	NPD4036	Approved
0.7293	Intermediate Similarity	NPD7729	Clinical (unspecified phase)
0.7269	Intermediate Similarity	NPD4502	Phase 2
0.7269	Intermediate Similarity	NPD8091	Phase 3
0.7265	Intermediate Similarity	NPD7719	Discontinued
0.726	Intermediate Similarity	NPD3478	Clinical (unspecified phase)
0.726	Intermediate Similarity	NPD3477	Phase 2
0.7248	Intermediate Similarity	NPD5902	Approved
0.7248	Intermediate Similarity	NPD5903	Approved
0.7245	Intermediate Similarity	NPD6872	Clinical (unspecified phase)
0.7244	Intermediate Similarity	NPD7710	Clinical (unspecified phase)
0.724	Intermediate Similarity	NPD5930	Phase 3
0.7238	Intermediate Similarity	NPD3825	Phase 3
0.7231	Intermediate Similarity	NPD2780	Approved
0.7231	Intermediate Similarity	NPD2782	Approved
0.7227	Intermediate Similarity	NPD7395	Discontinued
0.7227	Intermediate Similarity	NPD3354	Phase 2
0.7212	Intermediate Similarity	NPD6491	Clinical (unspecified phase)
0.7212	Intermediate Similarity	NPD8052	Clinical (unspecified phase)
0.7212	Intermediate Similarity	NPD5801	Clinical (unspecified phase)
0.7209	Intermediate Similarity	NPD5863	Clinical (unspecified phase)
0.7198	Intermediate Similarity	NPD4876	Phase 3
0.7198	Intermediate Similarity	NPD4875	Phase 3
0.7197	Intermediate Similarity	NPD7169	Suspended
0.7196	Intermediate Similarity	NPD2060	Approved
0.7186	Intermediate Similarity	NPD8016	Phase 3
0.7186	Intermediate Similarity	NPD8017	Clinical (unspecified phase)
0.7175	Intermediate Similarity	NPD1856	Discontinued
0.7162	Intermediate Similarity	NPD7678	Clinical (unspecified phase)
0.7157	Intermediate Similarity	NPD2781	Approved
0.7157	Intermediate Similarity	NPD7424	Clinical (unspecified phase)
0.7156	Intermediate Similarity	NPD7676	Clinical (unspecified phase)
0.7156	Intermediate Similarity	NPD7675	Phase 3
0.7156	Intermediate Similarity	NPD7674	Phase 3
0.715	Intermediate Similarity	NPD2334	Discontinued
0.715	Intermediate Similarity	NPD3397	Phase 2
0.7143	Intermediate Similarity	NPD7948	Phase 1
0.713	Intermediate Similarity	NPD2739	Clinical (unspecified phase)
0.713	Intermediate Similarity	NPD7671	Approved
0.713	Intermediate Similarity	NPD7672	Approved
0.713	Intermediate Similarity	NPD4859	Phase 1
0.7129	Intermediate Similarity	NPD6861	Clinical (unspecified phase)
0.7124	Intermediate Similarity	NPD6553	Clinical (unspecified phase)
0.7106	Intermediate Similarity	NPD8100	Phase 3
0.7105	Intermediate Similarity	NPD4995	Approved
0.7105	Intermediate Similarity	NPD4996	Approved
0.7101	Intermediate Similarity	NPD7859	Phase 2
0.7098	Intermediate Similarity	NPD1954	Phase 1
0.7094	Intermediate Similarity	NPD3386	Phase 2
0.7085	Intermediate Similarity	NPD6242	Discontinued
0.7081	Intermediate Similarity	NPD4551	Phase 2
0.7073	Intermediate Similarity	NPD6344	Clinical (unspecified phase)
0.7061	Intermediate Similarity	NPD4925	Approved
0.7059	Intermediate Similarity	NPD5522	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD6503	Clinical (unspecified phase)
0.7054	Intermediate Similarity	NPD4881	Clinical (unspecified phase)
0.7051	Intermediate Similarity	NPD2187	Approved
0.7051	Intermediate Similarity	NPD6517	Phase 3
0.7051	Intermediate Similarity	NPD2189	Approved
0.7037	Intermediate Similarity	NPD5601	Phase 2
0.7032	Intermediate Similarity	NPD5939	Approved
0.7032	Intermediate Similarity	NPD5936	Approved
0.7024	Intermediate Similarity	NPD5083	Clinical (unspecified phase)
0.7017	Intermediate Similarity	NPD8101	Phase 3
0.7015	Intermediate Similarity	NPD5602	Clinical (unspecified phase)
0.7014	Intermediate Similarity	NPD6550	Discontinued
0.701	Intermediate Similarity	NPD4203	Approved
0.701	Intermediate Similarity	NPD4204	Approved
0.7004	Intermediate Similarity	NPD7426	Phase 1
0.7	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.6996	Remote Similarity	NPD6568	Discontinued
0.6996	Remote Similarity	NPD8109	Clinical (unspecified phase)
0.6995	Remote Similarity	NPD4548	Discontinued
0.699	Remote Similarity	NPD9705	Discontinued
0.699	Remote Similarity	NPD112	Approved
0.6987	Remote Similarity	NPD6969	Phase 2
0.6987	Remote Similarity	NPD6968	Phase 2
0.6982	Remote Similarity	NPD6147	Clinical (unspecified phase)
0.698	Remote Similarity	NPD6375	Clinical (unspecified phase)
0.6978	Remote Similarity	NPD6298	Discontinued
0.6972	Remote Similarity	NPD5528	Clinical (unspecified phase)
0.6972	Remote Similarity	NPD5529	Phase 1
0.697	Remote Similarity	NPD6741	Clinical (unspecified phase)
0.697	Remote Similarity	NPD5040	Clinical (unspecified phase)
0.6967	Remote Similarity	NPD3324	Clinical (unspecified phase)
0.6966	Remote Similarity	NPD5905	Phase 1
0.6962	Remote Similarity	NPD5488	Discontinued
0.6959	Remote Similarity	NPD6150	Discontinued
0.6957	Remote Similarity	NPD4375	Approved
0.6955	Remote Similarity	NPD4131	Phase 3
0.6955	Remote Similarity	NPD5067	Phase 2
0.6955	Remote Similarity	NPD5066	Phase 2
0.6953	Remote Similarity	NPD5805	Approved
0.6951	Remote Similarity	NPD5164	Discontinued
0.6951	Remote Similarity	NPD7823	Clinical (unspecified phase)
0.6948	Remote Similarity	NPD7889	Clinical (unspecified phase)
0.6946	Remote Similarity	NPD5751	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD6991	Approved
0.6943	Remote Similarity	NPD5559	Phase 2
0.6941	Remote Similarity	NPD2125	Clinical (unspecified phase)
0.6936	Remote Similarity	NPD6790	Phase 1
0.6927	Remote Similarity	NPD1392	Approved
0.6926	Remote Similarity	NPD6228	Discontinued
0.692	Remote Similarity	NPD5483	Clinical (unspecified phase)
0.692	Remote Similarity	NPD4429	Discontinued
0.6913	Remote Similarity	NPD1900	Clinical (unspecified phase)
0.6912	Remote Similarity	NPD1620	Clinical (unspecified phase)
0.6909	Remote Similarity	NPD6262	Clinical (unspecified phase)
0.6907	Remote Similarity	NPD6716	Phase 1
0.6901	Remote Similarity	NPD6988	Phase 1
0.6901	Remote Similarity	NPD6769	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD5100	Phase 3
0.6889	Remote Similarity	NPD6500	Approved
0.6889	Remote Similarity	NPD6501	Approved
0.6887	Remote Similarity	NPD3396	Approved
0.6887	Remote Similarity	NPD3395	Approved
0.6887	Remote Similarity	NPD6590	Discontinued
0.6885	Remote Similarity	NPD7956	Approved
0.6885	Remote Similarity	NPD7955	Approved
0.6884	Remote Similarity	NPD4396	Clinical (unspecified phase)
0.6881	Remote Similarity	NPD3003	Approved
0.6875	Remote Similarity	NPD6243	Phase 3
0.6875	Remote Similarity	NPD4920	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD4919	Phase 3
0.6875	Remote Similarity	NPD6244	Phase 3
0.6875	Remote Similarity	NPD4921	Phase 3
0.6864	Remote Similarity	NPD4437	Phase 3
0.686	Remote Similarity	NPD5917	Clinical (unspecified phase)
0.6857	Remote Similarity	NPD7708	Approved
0.6857	Remote Similarity	NPD8063	Discontinued
0.6856	Remote Similarity	NPD7051	Phase 3
0.6856	Remote Similarity	NPD7050	Clinical (unspecified phase)
0.6854	Remote Similarity	NPD5512	Phase 3
0.6851	Remote Similarity	NPD6727	Phase 2
0.685	Remote Similarity	NPD7201	Clinical (unspecified phase)
0.684	Remote Similarity	NPD6361	Phase 2
0.6832	Remote Similarity	NPD4083	Discontinued
0.6832	Remote Similarity	NPD5934	Clinical (unspecified phase)
0.683	Remote Similarity	NPD7112	Discontinued
0.6829	Remote Similarity	NPD7862	Clinical (unspecified phase)
0.6825	Remote Similarity	NPD4664	Clinical (unspecified phase)
0.6822	Remote Similarity	NPD7025	Clinical (unspecified phase)
0.682	Remote Similarity	NPD6208	Discontinued
0.6816	Remote Similarity	NPD5944	Phase 1
0.6816	Remote Similarity	NPD5945	Phase 1
0.6816	Remote Similarity	NPD1322	Clinical (unspecified phase)

Structure

CID188420 OpenBabel06191715572D 25 29 0 0 0 0 0 0 0 0999 V2000 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 3.0000 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 2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 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 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 -4.1369 2.0000 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 0.0000 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 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 3.4641 -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 -2.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5491 2.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5491 1.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 13 1 0 0 0 0 5 11 2 0 0 0 0 5 18 1 0 0 0 0 6 12 2 0 0 0 0 6 16 1 0 0 0 0 7 14 2 0 0 0 0 7 17 1 0 0 0 0 8 15 2 0 0 0 0 8 19 1 0 0 0 0 9 12 1 0 0 0 0 9 21 2 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 13 14 1 0 0 0 0 13 20 2 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 18 19 2 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	296524
ChEMBL	CHEMBL521226
ZINC

Physicochemical Properties

Molecular Weight:	333.10
ALogP:	-0.4063
MLogP:	3.11
XLogP:	3.243
# Rotatable Bonds:	4
Polar Surface Area:	49.81
# H-Bond Aceptor:	1
# H-Bond Donor:	0
# Rings:	5
# Heavy Atoms:	25

Download Data

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