NPASS Natural Product

Natural Product: NPC181502

Natural Product ID:	NPC181502
Common Name:	Oridamycin A
IUPAC Name:
Synonyms:
Molecular Formula:	C23H25NO3
Standard InCHIKey:	XUTJPVCJXVRRLB-IRMYBRCSSA-N
Standard InCHI:	InChI=1S/C23H25NO3/c1-22-10-9-20(25)23(2,21(26)27)19(22)8-7-13-11-18-15(12-16(13)22)14-5-3-4-6-17(14)24-18/h3-6,11-12,19-20,24-25H,7-10H2,1-2H3,(H,26,27)/t19-,20+,22-,23-/m1/s1
Canonical SMILES:	O[C@H]1CC[C@]2([C@H]([C@@]1(C)C(=O)O)CCc1c2cc2c(c1)[nH]c1c2cccc1)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
NPO31825	Streptomyces ks84	Species	Streptomycetaceae	Bacteria				StreptomeDB*

Biological Activity

Activity Type	# Activity
MIC	2

Activity Type	# Activity
Organism	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT5024	Organism	Saprolegnia parasitica	Saprolegnia parasitica	MIC	=	3	ug/ml	20369841
NPT4398	Organism	Phoma	Phoma	MIC	=	242	ug/ml	20369841

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 NPC181502 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	199
0.1-0.2	1042
0.2-0.3	3485
0.3-0.4	13410
0.4-0.5	9575
0.5-0.6	1848
0.6-0.7	1035
0.7-0.8	262
0.8-0.85	29
0.85-0.9	2
0.9-0.95	1
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC85066
0.9198	High Similarity	NPC204303
0.8656	High Similarity	NPC473747
0.8564	High Similarity	NPC475151
0.8438	Intermediate Similarity	NPC18661
0.8415	Intermediate Similarity	NPC99428
0.8409	Intermediate Similarity	NPC154293
0.8378	Intermediate Similarity	NPC206967
0.8368	Intermediate Similarity	NPC249150
0.8368	Intermediate Similarity	NPC81654
0.8368	Intermediate Similarity	NPC195461
0.8368	Intermediate Similarity	NPC49196
0.8368	Intermediate Similarity	NPC313985
0.8368	Intermediate Similarity	NPC79129
0.836	Intermediate Similarity	NPC50503
0.8359	Intermediate Similarity	NPC475165
0.8325	Intermediate Similarity	NPC79107
0.8325	Intermediate Similarity	NPC475424
0.8316	Intermediate Similarity	NPC250129
0.8268	Intermediate Similarity	NPC97525
0.8197	Intermediate Similarity	NPC302191
0.8173	Intermediate Similarity	NPC234999
0.8142	Intermediate Similarity	NPC198339
0.8122	Intermediate Similarity	NPC284102
0.8087	Intermediate Similarity	NPC213468
0.8075	Intermediate Similarity	NPC119700
0.8061	Intermediate Similarity	NPC187456
0.805	Intermediate Similarity	NPC473547
0.8043	Intermediate Similarity	NPC300688
0.8011	Intermediate Similarity	NPC126492
0.8011	Intermediate Similarity	NPC165201
0.801	Intermediate Similarity	NPC97388
0.8	Intermediate Similarity	NPC475778
0.7957	Intermediate Similarity	NPC19679
0.7921	Intermediate Similarity	NPC473650
0.7921	Intermediate Similarity	NPC160527
0.7902	Intermediate Similarity	NPC61813
0.7887	Intermediate Similarity	NPC52557
0.7876	Intermediate Similarity	NPC205403
0.7857	Intermediate Similarity	NPC471634
0.7857	Intermediate Similarity	NPC473806
0.7842	Intermediate Similarity	NPC175474
0.7838	Intermediate Similarity	NPC151939
0.7817	Intermediate Similarity	NPC474116
0.7817	Intermediate Similarity	NPC162730
0.7817	Intermediate Similarity	NPC123019
0.7784	Intermediate Similarity	NPC231342
0.7778	Intermediate Similarity	NPC476319
0.7772	Intermediate Similarity	NPC34508
0.776	Intermediate Similarity	NPC280548
0.7756	Intermediate Similarity	NPC96131
0.7749	Intermediate Similarity	NPC34271
0.7717	Intermediate Similarity	NPC6982
0.7701	Intermediate Similarity	NPC6093
0.7681	Intermediate Similarity	NPC242446
0.7681	Intermediate Similarity	NPC475476
0.7659	Intermediate Similarity	NPC471284
0.7653	Intermediate Similarity	NPC282033
0.7647	Intermediate Similarity	NPC235900
0.7617	Intermediate Similarity	NPC329858
0.7609	Intermediate Similarity	NPC201700
0.7606	Intermediate Similarity	NPC270009
0.76	Intermediate Similarity	NPC477135
0.7596	Intermediate Similarity	NPC470508
0.7582	Intermediate Similarity	NPC16667
0.7556	Intermediate Similarity	NPC184476
0.7547	Intermediate Similarity	NPC112547
0.7542	Intermediate Similarity	NPC200743
0.7538	Intermediate Similarity	NPC55493
0.7536	Intermediate Similarity	NPC203614
0.7536	Intermediate Similarity	NPC204491
0.7526	Intermediate Similarity	NPC192270
0.7526	Intermediate Similarity	NPC95783
0.7514	Intermediate Similarity	NPC312092
0.7513	Intermediate Similarity	NPC11445
0.7512	Intermediate Similarity	NPC98715
0.7512	Intermediate Similarity	NPC9894
0.75	Intermediate Similarity	NPC235885
0.7488	Intermediate Similarity	NPC477065
0.7487	Intermediate Similarity	NPC241024
0.7487	Intermediate Similarity	NPC32200
0.7463	Intermediate Similarity	NPC476874
0.7462	Intermediate Similarity	NPC157828
0.7462	Intermediate Similarity	NPC195239
0.7461	Intermediate Similarity	NPC160381
0.7451	Intermediate Similarity	NPC61637
0.7451	Intermediate Similarity	NPC127677
0.7451	Intermediate Similarity	NPC258062
0.7447	Intermediate Similarity	NPC329688
0.7447	Intermediate Similarity	NPC189812
0.7446	Intermediate Similarity	NPC472587
0.7436	Intermediate Similarity	NPC314333
0.7421	Intermediate Similarity	NPC94541
0.7421	Intermediate Similarity	NPC470843
0.7419	Intermediate Similarity	NPC78020
0.7418	Intermediate Similarity	NPC76982
0.7416	Intermediate Similarity	NPC477134
0.7413	Intermediate Similarity	NPC300183
0.7405	Intermediate Similarity	NPC71132
0.7402	Intermediate Similarity	NPC46225
0.7402	Intermediate Similarity	NPC225821
0.7387	Intermediate Similarity	NPC229332
0.7385	Intermediate Similarity	NPC246700
0.7385	Intermediate Similarity	NPC128751
0.7379	Intermediate Similarity	NPC303951
0.7377	Intermediate Similarity	NPC67056
0.7374	Intermediate Similarity	NPC124005
0.7371	Intermediate Similarity	NPC315555
0.7363	Intermediate Similarity	NPC214428
0.7363	Intermediate Similarity	NPC285469
0.735	Intermediate Similarity	NPC477044
0.735	Intermediate Similarity	NPC477041
0.7347	Intermediate Similarity	NPC469497
0.7347	Intermediate Similarity	NPC106833
0.7343	Intermediate Similarity	NPC23294
0.734	Intermediate Similarity	NPC476115
0.7337	Intermediate Similarity	NPC473320
0.7333	Intermediate Similarity	NPC293151
0.7333	Intermediate Similarity	NPC33421
0.733	Intermediate Similarity	NPC219336
0.733	Intermediate Similarity	NPC271862
0.7317	Intermediate Similarity	NPC474905
0.7317	Intermediate Similarity	NPC323927
0.7316	Intermediate Similarity	NPC267885
0.7313	Intermediate Similarity	NPC476175
0.7313	Intermediate Similarity	NPC477045
0.7308	Intermediate Similarity	NPC87856
0.7308	Intermediate Similarity	NPC151976
0.7308	Intermediate Similarity	NPC207726
0.7308	Intermediate Similarity	NPC470507
0.7308	Intermediate Similarity	NPC38736
0.7306	Intermediate Similarity	NPC472108
0.7306	Intermediate Similarity	NPC139291
0.73	Intermediate Similarity	NPC153042
0.7296	Intermediate Similarity	NPC46413
0.7296	Intermediate Similarity	NPC321708
0.729	Intermediate Similarity	NPC147446
0.729	Intermediate Similarity	NPC51388
0.7286	Intermediate Similarity	NPC132211
0.7286	Intermediate Similarity	NPC3207
0.7282	Intermediate Similarity	NPC235684
0.7277	Intermediate Similarity	NPC2395
0.7277	Intermediate Similarity	NPC217372
0.7277	Intermediate Similarity	NPC293472
0.7277	Intermediate Similarity	NPC68354
0.7277	Intermediate Similarity	NPC15573
0.7277	Intermediate Similarity	NPC183662
0.7273	Intermediate Similarity	NPC267965
0.7273	Intermediate Similarity	NPC47190
0.7264	Intermediate Similarity	NPC102008
0.7263	Intermediate Similarity	NPC149155
0.7263	Intermediate Similarity	NPC203468
0.7263	Intermediate Similarity	NPC275305
0.7263	Intermediate Similarity	NPC110500
0.7263	Intermediate Similarity	NPC37423
0.7263	Intermediate Similarity	NPC472586
0.7256	Intermediate Similarity	NPC141428
0.7256	Intermediate Similarity	NPC245756
0.7248	Intermediate Similarity	NPC474701
0.7246	Intermediate Similarity	NPC469743
0.724	Intermediate Similarity	NPC248041
0.724	Intermediate Similarity	NPC55772
0.724	Intermediate Similarity	NPC176199
0.724	Intermediate Similarity	NPC126709
0.724	Intermediate Similarity	NPC472443
0.724	Intermediate Similarity	NPC215795
0.7231	Intermediate Similarity	NPC473189
0.7225	Intermediate Similarity	NPC288785
0.7222	Intermediate Similarity	NPC267926
0.7212	Intermediate Similarity	NPC475422
0.7211	Intermediate Similarity	NPC472123
0.7209	Intermediate Similarity	NPC266192
0.7209	Intermediate Similarity	NPC179365
0.7209	Intermediate Similarity	NPC475450
0.7208	Intermediate Similarity	NPC102338
0.7208	Intermediate Similarity	NPC111602
0.7208	Intermediate Similarity	NPC196251
0.7208	Intermediate Similarity	NPC63199
0.7206	Intermediate Similarity	NPC193761
0.7204	Intermediate Similarity	NPC330009
0.7204	Intermediate Similarity	NPC469928
0.7202	Intermediate Similarity	NPC469896
0.7198	Intermediate Similarity	NPC39679
0.7198	Intermediate Similarity	NPC86834
0.7198	Intermediate Similarity	NPC87755
0.7198	Intermediate Similarity	NPC210828
0.7196	Intermediate Similarity	NPC280799
0.719	Intermediate Similarity	NPC31700
0.7189	Intermediate Similarity	NPC57690
0.7186	Intermediate Similarity	NPC67551
0.7184	Intermediate Similarity	NPC277350
0.7179	Intermediate Similarity	NPC190007
0.7174	Intermediate Similarity	NPC478080
0.7172	Intermediate Similarity	NPC472112
0.7168	Intermediate Similarity	NPC473930
0.7167	Intermediate Similarity	NPC129042
0.7166	Intermediate Similarity	NPC271734
0.7166	Intermediate Similarity	NPC311276
0.7166	Intermediate Similarity	NPC40779
0.7165	Intermediate Similarity	NPC71037

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC181502 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	169
0.1-0.2	524
0.2-0.3	818
0.3-0.4	1597
0.4-0.5	3248
0.5-0.6	2091
0.6-0.7	624
0.7-0.8	87
0.8-0.85	3
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8368	Intermediate Similarity	NPD4600	Approved
0.8368	Intermediate Similarity	NPD4601	Approved
0.8333	Intermediate Similarity	NPD6630	Clinical (unspecified phase)
0.7835	Intermediate Similarity	NPD5003	Discontinued
0.7612	Intermediate Similarity	NPD7957	Phase 1
0.7612	Intermediate Similarity	NPD7958	Clinical (unspecified phase)
0.7609	Intermediate Similarity	NPD5021	Discontinued
0.76	Intermediate Similarity	NPD2920	Discontinued
0.7596	Intermediate Similarity	NPD5744	Clinical (unspecified phase)
0.7573	Intermediate Similarity	NPD8112	Clinical (unspecified phase)
0.7565	Intermediate Similarity	NPD1534	Approved
0.7527	Intermediate Similarity	NPD6739	Clinical (unspecified phase)
0.7526	Intermediate Similarity	NPD2565	Phase 2
0.7526	Intermediate Similarity	NPD2564	Approved
0.7487	Intermediate Similarity	NPD6183	Clinical (unspecified phase)
0.7487	Intermediate Similarity	NPD43	Approved
0.7487	Intermediate Similarity	NPD6182	Approved
0.7474	Intermediate Similarity	NPD5899	Approved
0.7474	Intermediate Similarity	NPD5898	Approved
0.7474	Intermediate Similarity	NPD5897	Approved
0.7463	Intermediate Similarity	NPD5721	Clinical (unspecified phase)
0.7436	Intermediate Similarity	NPD4499	Approved
0.7423	Intermediate Similarity	NPD8431	Approved
0.74	Intermediate Similarity	NPD6661	Clinical (unspecified phase)
0.7396	Intermediate Similarity	NPD5728	Clinical (unspecified phase)
0.7379	Intermediate Similarity	NPD7998	Clinical (unspecified phase)
0.7366	Intermediate Similarity	NPD7947	Clinical (unspecified phase)
0.7345	Intermediate Similarity	NPD5254	Discontinued
0.733	Intermediate Similarity	NPD4079	Approved
0.733	Intermediate Similarity	NPD4076	Approved
0.7326	Intermediate Similarity	NPD2844	Phase 3
0.7316	Intermediate Similarity	NPD5501	Discontinued
0.7316	Intermediate Similarity	NPD749	Clinical (unspecified phase)
0.7304	Intermediate Similarity	NPD6138	Clinical (unspecified phase)
0.7296	Intermediate Similarity	NPD7233	Approved
0.7296	Intermediate Similarity	NPD7234	Approved
0.7277	Intermediate Similarity	NPD8248	Clinical (unspecified phase)
0.7277	Intermediate Similarity	NPD3506	Approved
0.7277	Intermediate Similarity	NPD3505	Approved
0.7264	Intermediate Similarity	NPD7777	Approved
0.7264	Intermediate Similarity	NPD7778	Approved
0.7264	Intermediate Similarity	NPD53	Approved
0.7263	Intermediate Similarity	NPD482	Approved
0.7233	Intermediate Similarity	NPD5429	Discontinued
0.7225	Intermediate Similarity	NPD7454	Approved
0.7225	Intermediate Similarity	NPD7455	Approved
0.722	Intermediate Similarity	NPD5901	Discontinued
0.7216	Intermediate Similarity	NPD4345	Clinical (unspecified phase)
0.7216	Intermediate Similarity	NPD2095	Phase 2
0.7216	Intermediate Similarity	NPD2094	Phase 2
0.7216	Intermediate Similarity	NPD2092	Phase 2
0.7211	Intermediate Similarity	NPD4112	Clinical (unspecified phase)
0.7206	Intermediate Similarity	NPD7187	Phase 2
0.7196	Intermediate Similarity	NPD1325	Approved
0.7196	Intermediate Similarity	NPD1326	Approved
0.7192	Intermediate Similarity	NPD6479	Discontinued
0.719	Intermediate Similarity	NPD8094	Discontinued
0.7179	Intermediate Similarity	NPD2091	Phase 2
0.7179	Intermediate Similarity	NPD2096	Phase 2
0.7179	Intermediate Similarity	NPD3607	Clinical (unspecified phase)
0.7171	Intermediate Similarity	NPD6176	Phase 1
0.7165	Intermediate Similarity	NPD4383	Clinical (unspecified phase)
0.7163	Intermediate Similarity	NPD6995	Phase 1
0.715	Intermediate Similarity	NPD8386	Phase 2
0.715	Intermediate Similarity	NPD5398	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD4462	Approved
0.7143	Intermediate Similarity	NPD4463	Approved
0.7143	Intermediate Similarity	NPD8093	Discontinued
0.7136	Intermediate Similarity	NPD6987	Phase 1
0.712	Intermediate Similarity	NPD5257	Clinical (unspecified phase)
0.7113	Intermediate Similarity	NPD5473	Discontinued
0.7108	Intermediate Similarity	NPD4500	Approved
0.7108	Intermediate Similarity	NPD4501	Approved
0.7101	Intermediate Similarity	NPD4862	Clinical (unspecified phase)
0.7092	Intermediate Similarity	NPD6178	Phase 3
0.709	Intermediate Similarity	NPD4554	Clinical (unspecified phase)
0.7075	Intermediate Similarity	NPD7707	Approved
0.7074	Intermediate Similarity	NPD3323	Discontinued
0.7073	Intermediate Similarity	NPD4511	Phase 1
0.7056	Intermediate Similarity	NPD7878	Phase 2
0.7047	Intermediate Similarity	NPD6375	Clinical (unspecified phase)
0.7044	Intermediate Similarity	NPD6664	Approved
0.7041	Intermediate Similarity	NPD3319	Phase 1
0.7041	Intermediate Similarity	NPD3318	Approved
0.7041	Intermediate Similarity	NPD3320	Approved
0.7031	Intermediate Similarity	NPD750	Phase 2
0.703	Intermediate Similarity	NPD7944	Discontinued
0.7014	Intermediate Similarity	NPD7070	Clinical (unspecified phase)
0.701	Intermediate Similarity	NPD2144	Approved
0.701	Intermediate Similarity	NPD6846	Clinical (unspecified phase)
0.699	Remote Similarity	NPD3038	Discontinued
0.6989	Remote Similarity	NPD4880	Discontinued
0.6986	Remote Similarity	NPD6838	Clinical (unspecified phase)
0.697	Remote Similarity	NPD6610	Clinical (unspecified phase)
0.6963	Remote Similarity	NPD4640	Approved
0.6963	Remote Similarity	NPD4638	Approved
0.6963	Remote Similarity	NPD4639	Approved
0.6959	Remote Similarity	NPD4075	Phase 2
0.6943	Remote Similarity	NPD7418	Discontinued
0.6939	Remote Similarity	NPD6595	Phase 3
0.6939	Remote Similarity	NPD8464	Clinical (unspecified phase)
0.6938	Remote Similarity	NPD7010	Phase 3
0.6934	Remote Similarity	NPD7470	Discontinued
0.6931	Remote Similarity	NPD972	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD6203	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD8072	Approved
0.6915	Remote Similarity	NPD6281	Approved
0.691	Remote Similarity	NPD1262	Discovery
0.69	Remote Similarity	NPD3961	Discontinued
0.69	Remote Similarity	NPD4948	Discontinued
0.689	Remote Similarity	NPD8115	Approved
0.689	Remote Similarity	NPD8114	Approved
0.689	Remote Similarity	NPD5426	Phase 3
0.6889	Remote Similarity	NPD3943	Clinical (unspecified phase)
0.6887	Remote Similarity	NPD6204	Clinical (unspecified phase)
0.6887	Remote Similarity	NPD7825	Clinical (unspecified phase)
0.6881	Remote Similarity	NPD5912	Clinical (unspecified phase)
0.6881	Remote Similarity	NPD5913	Phase 3
0.6881	Remote Similarity	NPD4918	Discontinued
0.6875	Remote Similarity	NPD5069	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD7952	Approved
0.6875	Remote Similarity	NPD7791	Approved
0.6875	Remote Similarity	NPD7950	Approved
0.6875	Remote Similarity	NPD7790	Approved
0.6875	Remote Similarity	NPD7953	Approved
0.6875	Remote Similarity	NPD7951	Approved
0.6875	Remote Similarity	NPD7789	Approved
0.6872	Remote Similarity	NPD2916	Discontinued
0.6872	Remote Similarity	NPD7191	Phase 2
0.6869	Remote Similarity	NPD5522	Clinical (unspecified phase)
0.6863	Remote Similarity	NPD4602	Approved
0.6861	Remote Similarity	NPD7688	Phase 1
0.6854	Remote Similarity	NPD8013	Clinical (unspecified phase)
0.685	Remote Similarity	NPD5809	Phase 3
0.6849	Remote Similarity	NPD6160	Clinical (unspecified phase)
0.6839	Remote Similarity	NPD4184	Clinical (unspecified phase)
0.6839	Remote Similarity	NPD7474	Suspended
0.6837	Remote Similarity	NPD4181	Approved
0.6837	Remote Similarity	NPD7865	Approved
0.6829	Remote Similarity	NPD5512	Phase 3
0.6821	Remote Similarity	NPD4736	Clinical (unspecified phase)
0.682	Remote Similarity	NPD7395	Discontinued
0.6816	Remote Similarity	NPD3486	Clinical (unspecified phase)
0.6816	Remote Similarity	NPD7824	Approved
0.6794	Remote Similarity	NPD8073	Approved
0.6792	Remote Similarity	NPD6376	Discontinued
0.678	Remote Similarity	NPD7618	Phase 3
0.678	Remote Similarity	NPD7619	Phase 3
0.6776	Remote Similarity	NPD5936	Approved
0.6776	Remote Similarity	NPD5939	Approved
0.6774	Remote Similarity	NPD5164	Discontinued
0.6766	Remote Similarity	NPD4426	Clinical (unspecified phase)
0.6761	Remote Similarity	NPD5834	Phase 3
0.6761	Remote Similarity	NPD5835	Phase 3
0.6758	Remote Similarity	NPD1592	Phase 3
0.6746	Remote Similarity	NPD7932	Clinical (unspecified phase)
0.6746	Remote Similarity	NPD7933	Approved
0.6746	Remote Similarity	NPD7934	Discovery
0.6746	Remote Similarity	NPD7931	Approved
0.6745	Remote Similarity	NPD8322	Phase 2
0.6744	Remote Similarity	NPD7069	Discontinued
0.6744	Remote Similarity	NPD7594	Clinical (unspecified phase)
0.6738	Remote Similarity	NPD6476	Clinical (unspecified phase)
0.6738	Remote Similarity	NPD6158	Phase 2
0.6735	Remote Similarity	NPD4128	Approved
0.6735	Remote Similarity	NPD5065	Approved
0.6733	Remote Similarity	NPD6141	Clinical (unspecified phase)
0.673	Remote Similarity	NPD6323	Clinical (unspecified phase)
0.6729	Remote Similarity	NPD7809	Clinical (unspecified phase)
0.6726	Remote Similarity	NPD7730	Approved
0.6726	Remote Similarity	NPD7731	Approved
0.672	Remote Similarity	NPD6026	Approved
0.6719	Remote Similarity	NPD6635	Approved
0.6713	Remote Similarity	NPD7276	Approved
0.6713	Remote Similarity	NPD7277	Approved
0.6712	Remote Similarity	NPD7271	Approved
0.6708	Remote Similarity	NPD8364	Approved
0.6708	Remote Similarity	NPD8363	Approved
0.6702	Remote Similarity	NPD5086	Approved
0.6701	Remote Similarity	NPD2380	Approved
0.6701	Remote Similarity	NPD2382	Approved
0.6701	Remote Similarity	NPD2381	Approved
0.6701	Remote Similarity	NPD5471	Phase 3
0.67	Remote Similarity	NPD4334	Discontinued
0.6699	Remote Similarity	NPD484	Approved
0.6698	Remote Similarity	NPD7927	Clinical (unspecified phase)
0.6697	Remote Similarity	NPD8000	Clinical (unspecified phase)
0.6696	Remote Similarity	NPD7780	Approved
0.6696	Remote Similarity	NPD7781	Approved
0.6696	Remote Similarity	NPD7767	Approved
0.6695	Remote Similarity	NPD8358	Approved
0.6684	Remote Similarity	NPD2172	Phase 1
0.6684	Remote Similarity	NPD4326	Phase 2
0.6683	Remote Similarity	NPD7946	Pre-registration
0.6682	Remote Similarity	NPD2125	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD6642	Approved
0.6667	Remote Similarity	NPD6145	Phase 1
0.6667	Remote Similarity	NPD8493	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD8405	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD6641	Approved

Structure

CID181502 OpenBabel06191715552D 27 31 0 0 1 0 0 0 0 0999 V2000 2.5561 0.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0151 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5445 -0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5446 -1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7066 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7067 -1.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6771 -1.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8386 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8384 1.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6769 0.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3535 -1.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3534 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5155 -1.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8682 -0.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1918 -0.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5155 -0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8682 -1.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1919 -1.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8385 -0.4840 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0001 0.9682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5075 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 0.0001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0303 -1.9358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 1.4757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5227 -0.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -1.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 14 2 0 0 0 0 6 17 2 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 18 1 0 0 0 0 12 15 1 0 0 0 0 12 16 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 16 22 1 0 0 0 0 17 24 1 0 0 0 0 18 24 1 0 0 0 0 19 22 1 1 0 0 0 19 23 1 0 0 0 0 20 23 1 1 0 0 0 20 25 1 0 0 0 0 21 23 1 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 22 1 1 1 0 0 0 23 2 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	46211628
ChEMBL	CHEMBL1094592
ZINC

Physicochemical Properties

Molecular Weight:	363.18
ALogP:	-0.665
MLogP:	3.55
XLogP:	5.539
# Rotatable Bonds:	5
Polar Surface Area:	73.32
# H-Bond Aceptor:	4
# H-Bond Donor:	3
# Rings:	5
# Heavy Atoms:	27

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