NPASS Natural Product

Natural Product: NPC225279

Natural Product ID:	NPC225279
Common Name:	Ekeberginine
IUPAC Name:	1-methoxy-4-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde
Synonyms:	Ekeberginine
Molecular Formula:	C19H19NO2
Standard InCHIKey:	KMKDRUSOTGFBJU-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C19H19NO2/c1-12(2)8-9-14-13(11-21)10-17(22-3)19-18(14)15-6-4-5-7-16(15)20-19/h4-8,10-11,20H,9H2,1-3H3
Canonical SMILES:	O=Cc1cc(OC)c2c(c1CC=C(C)C)c1ccccc1[nH]2
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
NPO29109	Clausena anisata	Species	Rutaceae	Eukaryota				PMID[10650093]

Biological Activity

Activity Type	# Activity
Others	8

Activity Type	# Activity
Cell Line	4
Others	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT80	Cell Line	Raji	Homo sapiens	Activity	>	80	%	Open TG-GATES in vivo data: Biochemistry
NPT80	Cell Line	Raji	Homo sapiens	Activity	=	60	%	Open TG-GATES in vivo data: Biochemistry
NPT2	Others	Unspecified		Activity	=	90.3	%	Open TG-GATES in vivo data: Biochemistry
NPT2	Others	Unspecified		Activity	=	10.5	%	Open TG-GATES in vivo data: Biochemistry
NPT2	Others	Unspecified		Activity	=	63.5	%	Open TG-GATES in vivo data: Biochemistry
NPT2	Others	Unspecified		Activity	=	22.4	%	Open TG-GATES in vivo data: Biochemistry

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 NPC225279 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	405
0.1-0.2	2193
0.2-0.3	9041
0.3-0.4	3225
0.4-0.5	11684
0.5-0.6	2869
0.6-0.7	1166
0.7-0.8	253
0.8-0.85	22
0.85-0.9	20
0.9-0.95	9
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.96	High Similarity	NPC144452
0.959	High Similarity	NPC187501
0.945	High Similarity	NPC208084
0.9369	High Similarity	NPC474688
0.9366	High Similarity	NPC274640
0.9254	High Similarity	NPC293151
0.92	High Similarity	NPC39500
0.9126	High Similarity	NPC179287
0.9078	High Similarity	NPC51388
0.902	High Similarity	NPC184408
0.9019	High Similarity	NPC475844
0.8945	High Similarity	NPC45190
0.89	High Similarity	NPC249583
0.8873	High Similarity	NPC39370
0.8868	High Similarity	NPC473186
0.8821	High Similarity	NPC474701
0.8806	High Similarity	NPC283117
0.8689	High Similarity	NPC118228
0.8683	High Similarity	NPC310211
0.8683	High Similarity	NPC308137
0.8663	High Similarity	NPC300156
0.8654	High Similarity	NPC46561
0.8634	High Similarity	NPC294375
0.8621	High Similarity	NPC4687
0.8619	High Similarity	NPC280799
0.8585	High Similarity	NPC199667
0.8571	High Similarity	NPC150239
0.8564	High Similarity	NPC242928
0.8544	High Similarity	NPC9894
0.8537	High Similarity	NPC473181
0.8531	High Similarity	NPC198503
0.8476	Intermediate Similarity	NPC247803
0.8454	Intermediate Similarity	NPC87413
0.8447	Intermediate Similarity	NPC6786
0.8372	Intermediate Similarity	NPC470018
0.8366	Intermediate Similarity	NPC128823
0.8341	Intermediate Similarity	NPC169402
0.8333	Intermediate Similarity	NPC116238
0.8325	Intermediate Similarity	NPC473180
0.8265	Intermediate Similarity	NPC49547
0.8256	Intermediate Similarity	NPC474798
0.8221	Intermediate Similarity	NPC39679
0.819	Intermediate Similarity	NPC23294
0.8165	Intermediate Similarity	NPC74575
0.8143	Intermediate Similarity	NPC303951
0.814	Intermediate Similarity	NPC174760
0.8119	Intermediate Similarity	NPC475190
0.809	Intermediate Similarity	NPC160381
0.8086	Intermediate Similarity	NPC321428
0.8077	Intermediate Similarity	NPC470930
0.8048	Intermediate Similarity	NPC86834
0.8048	Intermediate Similarity	NPC210828
0.8	Intermediate Similarity	NPC193777
0.7982	Intermediate Similarity	NPC208522
0.7981	Intermediate Similarity	NPC94157
0.7953	Intermediate Similarity	NPC3207
0.7926	Intermediate Similarity	NPC473179
0.7926	Intermediate Similarity	NPC288987
0.7911	Intermediate Similarity	NPC470017
0.7902	Intermediate Similarity	NPC131017
0.7888	Intermediate Similarity	NPC473188
0.7881	Intermediate Similarity	NPC89549
0.784	Intermediate Similarity	NPC201697
0.7832	Intermediate Similarity	NPC473187
0.7826	Intermediate Similarity	NPC243834
0.7826	Intermediate Similarity	NPC70956
0.7822	Intermediate Similarity	NPC473182
0.7814	Intermediate Similarity	NPC474428
0.7808	Intermediate Similarity	NPC132642
0.7804	Intermediate Similarity	NPC470020
0.7798	Intermediate Similarity	NPC131885
0.7788	Intermediate Similarity	NPC72211
0.7773	Intermediate Similarity	NPC162484
0.7758	Intermediate Similarity	NPC257851
0.7757	Intermediate Similarity	NPC209769
0.7743	Intermediate Similarity	NPC329631
0.7731	Intermediate Similarity	NPC48353
0.7731	Intermediate Similarity	NPC38237
0.7721	Intermediate Similarity	NPC471304
0.7719	Intermediate Similarity	NPC470022
0.7696	Intermediate Similarity	NPC324361
0.7692	Intermediate Similarity	NPC70259
0.7685	Intermediate Similarity	NPC146418
0.7679	Intermediate Similarity	NPC478078
0.7679	Intermediate Similarity	NPC473185
0.765	Intermediate Similarity	NPC270515
0.7647	Intermediate Similarity	NPC323969
0.7644	Intermediate Similarity	NPC194740
0.7644	Intermediate Similarity	NPC205934
0.7644	Intermediate Similarity	NPC43787
0.7636	Intermediate Similarity	NPC473041
0.7636	Intermediate Similarity	NPC96321
0.7634	Intermediate Similarity	NPC202503
0.7604	Intermediate Similarity	NPC208284
0.7594	Intermediate Similarity	NPC267423
0.7585	Intermediate Similarity	NPC67401
0.7577	Intermediate Similarity	NPC475253
0.7573	Intermediate Similarity	NPC246700
0.7571	Intermediate Similarity	NPC153042
0.7559	Intermediate Similarity	NPC475112
0.7559	Intermediate Similarity	NPC475085
0.7559	Intermediate Similarity	NPC291535
0.7557	Intermediate Similarity	NPC303658
0.7554	Intermediate Similarity	NPC142385
0.7545	Intermediate Similarity	NPC205372
0.7535	Intermediate Similarity	NPC476106
0.7531	Intermediate Similarity	NPC53534
0.7523	Intermediate Similarity	NPC245816
0.7523	Intermediate Similarity	NPC476138
0.7522	Intermediate Similarity	NPC157931
0.7522	Intermediate Similarity	NPC140296
0.7512	Intermediate Similarity	NPC230403
0.7511	Intermediate Similarity	NPC314552
0.751	Intermediate Similarity	NPC185197
0.75	Intermediate Similarity	NPC16066
0.75	Intermediate Similarity	NPC176127
0.75	Intermediate Similarity	NPC260434
0.749	Intermediate Similarity	NPC132385
0.7489	Intermediate Similarity	NPC471762
0.7488	Intermediate Similarity	NPC132539
0.7477	Intermediate Similarity	NPC269367
0.7468	Intermediate Similarity	NPC148889
0.7466	Intermediate Similarity	NPC148183
0.7466	Intermediate Similarity	NPC152768
0.7463	Intermediate Similarity	NPC84478
0.7462	Intermediate Similarity	NPC118511
0.7449	Intermediate Similarity	NPC230683
0.7442	Intermediate Similarity	NPC223427
0.7436	Intermediate Similarity	NPC76982
0.7434	Intermediate Similarity	NPC21638
0.7432	Intermediate Similarity	NPC305984
0.743	Intermediate Similarity	NPC476044
0.7424	Intermediate Similarity	NPC477112
0.7418	Intermediate Similarity	NPC152620
0.7414	Intermediate Similarity	NPC473183
0.7414	Intermediate Similarity	NPC472061
0.7414	Intermediate Similarity	NPC15801
0.7411	Intermediate Similarity	NPC472099
0.7409	Intermediate Similarity	NPC264176
0.7409	Intermediate Similarity	NPC26679
0.7404	Intermediate Similarity	NPC128751
0.7403	Intermediate Similarity	NPC473184
0.7403	Intermediate Similarity	NPC253675
0.7403	Intermediate Similarity	NPC34770
0.7391	Intermediate Similarity	NPC132329
0.7389	Intermediate Similarity	NPC122436
0.7383	Intermediate Similarity	NPC329747
0.7376	Intermediate Similarity	NPC476287
0.7368	Intermediate Similarity	NPC469497
0.7368	Intermediate Similarity	NPC106833
0.7366	Intermediate Similarity	NPC191489
0.7366	Intermediate Similarity	NPC298436
0.7364	Intermediate Similarity	NPC137353
0.7362	Intermediate Similarity	NPC72905
0.7362	Intermediate Similarity	NPC166712
0.7354	Intermediate Similarity	NPC312645
0.7353	Intermediate Similarity	NPC88363
0.735	Intermediate Similarity	NPC41501
0.7345	Intermediate Similarity	NPC216612
0.7343	Intermediate Similarity	NPC94943
0.7336	Intermediate Similarity	NPC252251
0.7336	Intermediate Similarity	NPC311906
0.7336	Intermediate Similarity	NPC66777
0.7322	Intermediate Similarity	NPC165964
0.7316	Intermediate Similarity	NPC474192
0.7316	Intermediate Similarity	NPC475720
0.7315	Intermediate Similarity	NPC199277
0.7315	Intermediate Similarity	NPC135887
0.7314	Intermediate Similarity	NPC478083
0.7314	Intermediate Similarity	NPC472589
0.7308	Intermediate Similarity	NPC101350
0.7303	Intermediate Similarity	NPC472588
0.7302	Intermediate Similarity	NPC329793
0.7297	Intermediate Similarity	NPC89508
0.7295	Intermediate Similarity	NPC190007
0.7285	Intermediate Similarity	NPC220337
0.7281	Intermediate Similarity	NPC134848
0.7281	Intermediate Similarity	NPC475774
0.7273	Intermediate Similarity	NPC185782
0.7273	Intermediate Similarity	NPC477531
0.7269	Intermediate Similarity	NPC58209
0.7269	Intermediate Similarity	NPC210434
0.7265	Intermediate Similarity	NPC146976
0.7265	Intermediate Similarity	NPC235685
0.7265	Intermediate Similarity	NPC477979
0.7255	Intermediate Similarity	NPC84347
0.7252	Intermediate Similarity	NPC118940
0.7247	Intermediate Similarity	NPC88923
0.7247	Intermediate Similarity	NPC315634
0.7247	Intermediate Similarity	NPC100734
0.7246	Intermediate Similarity	NPC212535
0.7241	Intermediate Similarity	NPC196718
0.7237	Intermediate Similarity	NPC322482
0.7232	Intermediate Similarity	NPC36405
0.7229	Intermediate Similarity	NPC209174
0.7229	Intermediate Similarity	NPC24019
0.7227	Intermediate Similarity	NPC160898
0.7227	Intermediate Similarity	NPC475910
0.7225	Intermediate Similarity	NPC60621
0.722	Intermediate Similarity	NPC236668

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC225279 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	288
0.1-0.2	738
0.2-0.3	1031
0.3-0.4	1169
0.4-0.5	2842
0.5-0.6	2205
0.6-0.7	768
0.7-0.8	119
0.8-0.85	0
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8937	High Similarity	NPD6160	Clinical (unspecified phase)
0.7928	Intermediate Similarity	NPD5479	Discontinued
0.788	Intermediate Similarity	NPD4429	Discontinued
0.7798	Intermediate Similarity	NPD5632	Approved
0.7746	Intermediate Similarity	NPD5429	Discontinued
0.7743	Intermediate Similarity	NPD6741	Clinical (unspecified phase)
0.7727	Intermediate Similarity	NPD6242	Discontinued
0.7717	Intermediate Similarity	NPD7395	Discontinued
0.7672	Intermediate Similarity	NPD5483	Clinical (unspecified phase)
0.7658	Intermediate Similarity	NPD2285	Clinical (unspecified phase)
0.7621	Intermediate Similarity	NPD3746	Discontinued
0.7615	Intermediate Similarity	NPD3945	Discontinued
0.7611	Intermediate Similarity	NPD5022	Discontinued
0.7608	Intermediate Similarity	NPD5512	Phase 3
0.7604	Intermediate Similarity	NPD4502	Phase 2
0.7577	Intermediate Similarity	NPD1867	Approved
0.7558	Intermediate Similarity	NPD1166	Clinical (unspecified phase)
0.7522	Intermediate Similarity	NPD3006	Discontinued
0.7511	Intermediate Similarity	NPD6716	Phase 1
0.7511	Intermediate Similarity	NPD5164	Discontinued
0.75	Intermediate Similarity	NPD2921	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD3257	Approved
0.75	Intermediate Similarity	NPD5417	Clinical (unspecified phase)
0.7444	Intermediate Similarity	NPD3258	Approved
0.7443	Intermediate Similarity	NPD5416	Discontinued
0.7418	Intermediate Similarity	NPD4118	Clinical (unspecified phase)
0.7406	Intermediate Similarity	NPD5003	Discontinued
0.7403	Intermediate Similarity	NPD2951	Discontinued
0.7395	Intermediate Similarity	NPD5482	Discontinued
0.7387	Intermediate Similarity	NPD2433	Clinical (unspecified phase)
0.7371	Intermediate Similarity	NPD7853	Phase 2
0.7368	Intermediate Similarity	NPD7994	Phase 2
0.7366	Intermediate Similarity	NPD7708	Approved
0.7316	Intermediate Similarity	NPD4885	Approved
0.7313	Intermediate Similarity	NPD7547	Clinical (unspecified phase)
0.7311	Intermediate Similarity	NPD3324	Clinical (unspecified phase)
0.7306	Intermediate Similarity	NPD5658	Approved
0.7304	Intermediate Similarity	NPD5801	Clinical (unspecified phase)
0.7293	Intermediate Similarity	NPD4328	Approved
0.7286	Intermediate Similarity	NPD2564	Approved
0.7286	Intermediate Similarity	NPD2565	Phase 2
0.7285	Intermediate Similarity	NPD7703	Clinical (unspecified phase)
0.7285	Intermediate Similarity	NPD5939	Approved
0.7285	Intermediate Similarity	NPD5936	Approved
0.7273	Intermediate Similarity	NPD1505	Phase 2
0.7269	Intermediate Similarity	NPD6824	Clinical (unspecified phase)
0.7261	Intermediate Similarity	NPD7710	Clinical (unspecified phase)
0.7256	Intermediate Similarity	NPD2175	Phase 3
0.7256	Intermediate Similarity	NPD2778	Approved
0.7256	Intermediate Similarity	NPD2177	Approved
0.7256	Intermediate Similarity	NPD2176	Approved
0.7247	Intermediate Similarity	NPD7803	Approved
0.723	Intermediate Similarity	NPD4418	Discontinued
0.7217	Intermediate Similarity	NPD7268	Clinical (unspecified phase)
0.7217	Intermediate Similarity	NPD3259	Approved
0.7215	Intermediate Similarity	NPD3003	Approved
0.7212	Intermediate Similarity	NPD5083	Clinical (unspecified phase)
0.7205	Intermediate Similarity	NPD6247	Clinical (unspecified phase)
0.7202	Intermediate Similarity	NPD2920	Discontinued
0.7198	Intermediate Similarity	NPD7688	Phase 1
0.7198	Intermediate Similarity	NPD1466	Phase 3
0.7198	Intermediate Similarity	NPD1467	Approved
0.7193	Intermediate Similarity	NPD6995	Phase 1
0.7189	Intermediate Similarity	NPD4511	Phase 1
0.7184	Intermediate Similarity	NPD7955	Approved
0.7184	Intermediate Similarity	NPD3920	Phase 2
0.7184	Intermediate Similarity	NPD7956	Approved
0.7183	Intermediate Similarity	NPD1304	Clinical (unspecified phase)
0.7183	Intermediate Similarity	NPD1038	Approved
0.7173	Intermediate Similarity	NPD6790	Phase 1
0.7169	Intermediate Similarity	NPD5901	Discontinued
0.7156	Intermediate Similarity	NPD2779	Approved
0.7156	Intermediate Similarity	NPD5612	Discontinued
0.7155	Intermediate Similarity	NPD4952	Phase 3
0.7149	Intermediate Similarity	NPD3250	Phase 1
0.7137	Intermediate Similarity	NPD6456	Discontinued
0.7137	Intermediate Similarity	NPD6770	Approved
0.7136	Intermediate Similarity	NPD6245	Phase 2
0.7125	Intermediate Similarity	NPD5488	Discontinued
0.7116	Intermediate Similarity	NPD6550	Discontinued
0.7104	Intermediate Similarity	NPD7222	Phase 2
0.7104	Intermediate Similarity	NPD7452	Approved
0.7104	Intermediate Similarity	NPD7453	Approved
0.7104	Intermediate Similarity	NPD6290	Phase 2
0.7101	Intermediate Similarity	NPD7417	Discontinued
0.7097	Intermediate Similarity	NPD3825	Phase 3
0.7095	Intermediate Similarity	NPD8358	Approved
0.7092	Intermediate Similarity	NPD8363	Approved
0.7092	Intermediate Similarity	NPD8364	Approved
0.7089	Intermediate Similarity	NPD5912	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD5913	Phase 3
0.7085	Intermediate Similarity	NPD6531	Approved
0.7085	Intermediate Similarity	NPD6530	Approved
0.7072	Intermediate Similarity	NPD6376	Discontinued
0.7071	Intermediate Similarity	NPD6517	Phase 3
0.707	Intermediate Similarity	NPD6491	Clinical (unspecified phase)
0.7064	Intermediate Similarity	NPD4373	Phase 2
0.7064	Intermediate Similarity	NPD5040	Clinical (unspecified phase)
0.7064	Intermediate Similarity	NPD3289	Phase 3
0.7064	Intermediate Similarity	NPD3290	Approved
0.7061	Intermediate Similarity	NPD6974	Phase 3
0.7059	Intermediate Similarity	NPD4862	Clinical (unspecified phase)
0.7054	Intermediate Similarity	NPD6567	Clinical (unspecified phase)
0.7051	Intermediate Similarity	NPD6962	Phase 2
0.7048	Intermediate Similarity	NPD3607	Clinical (unspecified phase)
0.7045	Intermediate Similarity	NPD2121	Clinical (unspecified phase)
0.704	Intermediate Similarity	NPD5450	Discontinued
0.7039	Intermediate Similarity	NPD5559	Phase 2
0.7037	Intermediate Similarity	NPD3986	Discontinued
0.7036	Intermediate Similarity	NPD8365	Clinical (unspecified phase)
0.7035	Intermediate Similarity	NPD5902	Approved
0.7035	Intermediate Similarity	NPD5903	Approved
0.7035	Intermediate Similarity	NPD7538	Clinical (unspecified phase)
0.7031	Intermediate Similarity	NPD5850	Phase 3
0.7031	Intermediate Similarity	NPD7180	Phase 3
0.7022	Intermediate Similarity	NPD7069	Discontinued
0.702	Intermediate Similarity	NPD4926	Clinical (unspecified phase)
0.7014	Intermediate Similarity	NPD3946	Clinical (unspecified phase)
0.7009	Intermediate Similarity	NPD5924	Discontinued
0.7009	Intermediate Similarity	NPD3392	Approved
0.6996	Remote Similarity	NPD4558	Phase 2
0.6996	Remote Similarity	NPD7467	Discontinued
0.6991	Remote Similarity	NPD7571	Clinical (unspecified phase)
0.6991	Remote Similarity	NPD6590	Discontinued
0.6984	Remote Similarity	NPD7925	Phase 2
0.6984	Remote Similarity	NPD7924	Phase 2
0.6983	Remote Similarity	NPD3925	Approved
0.6982	Remote Similarity	NPD8403	Phase 1
0.6981	Remote Similarity	NPD5256	Discontinued
0.6975	Remote Similarity	NPD4368	Phase 2
0.6975	Remote Similarity	NPD5805	Approved
0.6968	Remote Similarity	NPD7597	Clinical (unspecified phase)
0.6966	Remote Similarity	NPD7690	Clinical (unspecified phase)
0.6964	Remote Similarity	NPD4506	Discontinued
0.696	Remote Similarity	NPD5293	Phase 2
0.6953	Remote Similarity	NPD3263	Phase 3
0.6953	Remote Similarity	NPD7603	Discontinued
0.6947	Remote Similarity	NPD5866	Approved
0.6941	Remote Similarity	NPD1768	Approved
0.6939	Remote Similarity	NPD6503	Clinical (unspecified phase)
0.6937	Remote Similarity	NPD6138	Clinical (unspecified phase)
0.6935	Remote Similarity	NPD8091	Phase 3
0.6933	Remote Similarity	NPD4454	Phase 2
0.6927	Remote Similarity	NPD6988	Phase 1
0.6926	Remote Similarity	NPD8465	Approved
0.6926	Remote Similarity	NPD8429	Approved
0.6926	Remote Similarity	NPD8428	Approved
0.6926	Remote Similarity	NPD8467	Approved
0.6926	Remote Similarity	NPD8427	Approved
0.6926	Remote Similarity	NPD8466	Approved
0.6904	Remote Similarity	NPD4958	Clinical (unspecified phase)
0.6903	Remote Similarity	NPD5067	Phase 2
0.6903	Remote Similarity	NPD5066	Phase 2
0.6892	Remote Similarity	NPD6176	Phase 1
0.6889	Remote Similarity	NPD2125	Clinical (unspecified phase)
0.6885	Remote Similarity	NPD8459	Approved
0.6885	Remote Similarity	NPD8460	Approved
0.6883	Remote Similarity	NPD7858	Clinical (unspecified phase)
0.6883	Remote Similarity	NPD8463	Approved
0.6883	Remote Similarity	NPD7678	Clinical (unspecified phase)
0.6872	Remote Similarity	NPD7455	Approved
0.6872	Remote Similarity	NPD7454	Approved
0.687	Remote Similarity	NPD3354	Phase 2
0.687	Remote Similarity	NPD8109	Clinical (unspecified phase)
0.6864	Remote Similarity	NPD4548	Discontinued
0.6861	Remote Similarity	NPD3947	Discontinued
0.6844	Remote Similarity	NPD2509	Approved
0.6844	Remote Similarity	NPD2510	Approved
0.6844	Remote Similarity	NPD6460	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD4356	Discontinued
0.6835	Remote Similarity	NPD6861	Clinical (unspecified phase)
0.6833	Remote Similarity	NPD484	Approved
0.683	Remote Similarity	NPD2715	Clinical (unspecified phase)
0.683	Remote Similarity	NPD7010	Phase 3
0.683	Remote Similarity	NPD5530	Phase 1
0.6829	Remote Similarity	NPD6525	Clinical (unspecified phase)
0.6828	Remote Similarity	NPD5475	Discontinued
0.6828	Remote Similarity	NPD7468	Clinical (unspecified phase)
0.6826	Remote Similarity	NPD7823	Clinical (unspecified phase)
0.682	Remote Similarity	NPD8425	Approved
0.682	Remote Similarity	NPD8426	Approved
0.682	Remote Similarity	NPD3924	Approved
0.682	Remote Similarity	NPD3921	Approved
0.682	Remote Similarity	NPD3922	Approved
0.682	Remote Similarity	NPD3923	Approved
0.6812	Remote Similarity	NPD8279	Clinical (unspecified phase)
0.6812	Remote Similarity	NPD1325	Approved
0.6812	Remote Similarity	NPD1326	Approved
0.6812	Remote Similarity	NPD4667	Clinical (unspecified phase)
0.681	Remote Similarity	NPD5433	Clinical (unspecified phase)
0.6806	Remote Similarity	NPD5896	Clinical (unspecified phase)
0.6803	Remote Similarity	NPD7206	Clinical (unspecified phase)
0.6802	Remote Similarity	NPD6321	Discontinued
0.6797	Remote Similarity	NPD6985	Discontinued
0.6797	Remote Similarity	NPD6568	Discontinued
0.6797	Remote Similarity	NPD8405	Clinical (unspecified phase)
0.6793	Remote Similarity	NPD4898	Clinical (unspecified phase)
0.6792	Remote Similarity	NPD5891	Approved
0.6789	Remote Similarity	NPD8102	Discontinued
0.6786	Remote Similarity	NPD2721	Clinical (unspecified phase)

Structure

NPC225279 OpenBabel07101719522D 22 24 0 0 0 0 0 0 0 0999 V2000 1.8171 -4.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 -4.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 1.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4013 -2.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 -1.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4067 -2.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5823 -0.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 -3.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -2.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 -1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 -4.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 -0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 0.1910 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 0.9511 -0.3090 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 3.5491 -2.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 1.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 12 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 15 2 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 14 1 0 0 0 0 10 13 2 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 11 21 2 0 0 0 0 13 14 1 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 17 19 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	10379640
ChEMBL	CHEMBL517075
ZINC

Physicochemical Properties

Molecular Weight:	293.14
ALogP:	1.2128
MLogP:	3.22
XLogP:	4.755
# Rotatable Bonds:	7
Polar Surface Area:	42.09
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	22

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