NPASS Natural Product

Natural Product: NPC154293

Natural Product ID:	NPC154293
Common Name:	Pentacyclindole
IUPAC Name:
Synonyms:	Pentacyclindole
Molecular Formula:	C23H29NO
Standard InCHIKey:	MIQYAOWHEHWVNN-ISJXTJTLSA-N
Standard InCHI:	InChI=1S/C23H29NO/c1-13-9-10-17-20-15(11-19(25)22(17,2)3)21-16(12-23(13,20)4)14-7-5-6-8-18(14)24-21/h5-8,13,15,19,24-25H,9-12H2,1-4H3/t13-,15+,19+,23-/m1/s1
Canonical SMILES:	C[C@@H]1CCC2=C3[C@]1(C)Cc1c4ccccc4[nH]c1[C@H]3C[C@@H](C2(C)C)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
NPO22519	Greenwayodendron suaveolens	Species	Annonaceae	Eukaryota				PMID[20405845]

Biological Activity

Activity Type	# Activity
MIC	11
Others	1

Activity Type	# Activity
Organism	12

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	4	ug/ml	17324575
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC90	=	8	ug/ml	17324575
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	8	ug/ml	15730248
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	8	ug/ml	15332856
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	8	ug/ml	9392880
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	8	ug/ml	23006147
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	8	ug/ml	12105963

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 NPC154293 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	242
0.1-0.2	1264
0.2-0.3	4790
0.3-0.4	16224
0.4-0.5	5397
0.5-0.6	1583
0.6-0.7	989
0.7-0.8	364
0.8-0.85	26
0.85-0.9	8
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9068	High Similarity	NPC97525
0.9018	High Similarity	NPC151939
0.8855	High Similarity	NPC302191
0.8795	High Similarity	NPC198339
0.8795	High Similarity	NPC300688
0.869	High Similarity	NPC19679
0.8639	High Similarity	NPC165201
0.8596	High Similarity	NPC119700
0.8547	High Similarity	NPC34271
0.8537	High Similarity	NPC201700
0.8494	Intermediate Similarity	NPC34508
0.8409	Intermediate Similarity	NPC181502
0.8409	Intermediate Similarity	NPC85066
0.8402	Intermediate Similarity	NPC6093
0.8391	Intermediate Similarity	NPC206967
0.8372	Intermediate Similarity	NPC476319
0.8362	Intermediate Similarity	NPC205403
0.8333	Intermediate Similarity	NPC189812
0.8333	Intermediate Similarity	NPC329688
0.8294	Intermediate Similarity	NPC270009
0.8258	Intermediate Similarity	NPC231342
0.8218	Intermediate Similarity	NPC99428
0.8198	Intermediate Similarity	NPC192270
0.8182	Intermediate Similarity	NPC95783
0.8182	Intermediate Similarity	NPC16667
0.816	Intermediate Similarity	NPC285469
0.8129	Intermediate Similarity	NPC293472
0.8118	Intermediate Similarity	NPC472586
0.8095	Intermediate Similarity	NPC317430
0.8084	Intermediate Similarity	NPC470508
0.8081	Intermediate Similarity	NPC472443
0.8066	Intermediate Similarity	NPC473747
0.8059	Intermediate Similarity	NPC472123
0.8047	Intermediate Similarity	NPC280548
0.8024	Intermediate Similarity	NPC311276
0.8	Intermediate Similarity	NPC126492
0.7989	Intermediate Similarity	NPC123019
0.7988	Intermediate Similarity	NPC207726
0.7988	Intermediate Similarity	NPC470507
0.7978	Intermediate Similarity	NPC475151
0.7963	Intermediate Similarity	NPC124005
0.7952	Intermediate Similarity	NPC67056
0.7946	Intermediate Similarity	NPC477135
0.7943	Intermediate Similarity	NPC139291
0.7943	Intermediate Similarity	NPC472108
0.7943	Intermediate Similarity	NPC472444
0.7939	Intermediate Similarity	NPC469785
0.7937	Intermediate Similarity	NPC242556
0.7922	Intermediate Similarity	NPC475450
0.7917	Intermediate Similarity	NPC40779
0.7914	Intermediate Similarity	NPC33421
0.7907	Intermediate Similarity	NPC275305
0.7907	Intermediate Similarity	NPC37423
0.7904	Intermediate Similarity	NPC473320
0.7901	Intermediate Similarity	NPC477134
0.7898	Intermediate Similarity	NPC472294
0.7892	Intermediate Similarity	NPC469762
0.7884	Intermediate Similarity	NPC475165
0.7879	Intermediate Similarity	NPC38736
0.7879	Intermediate Similarity	NPC471458
0.7874	Intermediate Similarity	NPC213468
0.7872	Intermediate Similarity	NPC61637
0.7857	Intermediate Similarity	NPC475428
0.7853	Intermediate Similarity	NPC37548
0.7844	Intermediate Similarity	NPC230869
0.7842	Intermediate Similarity	NPC250129
0.7831	Intermediate Similarity	NPC184476
0.7826	Intermediate Similarity	NPC32200
0.7826	Intermediate Similarity	NPC476175
0.7821	Intermediate Similarity	NPC46413
0.7818	Intermediate Similarity	NPC259644
0.7818	Intermediate Similarity	NPC469760
0.7818	Intermediate Similarity	NPC469765
0.7818	Intermediate Similarity	NPC469763
0.7818	Intermediate Similarity	NPC73952
0.7818	Intermediate Similarity	NPC25008
0.7818	Intermediate Similarity	NPC469786
0.7816	Intermediate Similarity	NPC68354
0.7806	Intermediate Similarity	NPC179365
0.7792	Intermediate Similarity	NPC473587
0.7784	Intermediate Similarity	NPC195461
0.7784	Intermediate Similarity	NPC81654
0.7784	Intermediate Similarity	NPC313985
0.7784	Intermediate Similarity	NPC249150
0.7784	Intermediate Similarity	NPC49196
0.7784	Intermediate Similarity	NPC79129
0.7772	Intermediate Similarity	NPC50503
0.7771	Intermediate Similarity	NPC176199
0.7771	Intermediate Similarity	NPC211572
0.7771	Intermediate Similarity	NPC70922
0.7771	Intermediate Similarity	NPC80597
0.7771	Intermediate Similarity	NPC88363
0.7771	Intermediate Similarity	NPC212376
0.7771	Intermediate Similarity	NPC215795
0.7771	Intermediate Similarity	NPC75540
0.7766	Intermediate Similarity	NPC18661
0.7759	Intermediate Similarity	NPC288785
0.7756	Intermediate Similarity	NPC473930
0.7749	Intermediate Similarity	NPC204303
0.7746	Intermediate Similarity	NPC313791
0.7744	Intermediate Similarity	NPC187951
0.7733	Intermediate Similarity	NPC194411
0.773	Intermediate Similarity	NPC129042
0.7727	Intermediate Similarity	NPC473762
0.7722	Intermediate Similarity	NPC128751
0.7722	Intermediate Similarity	NPC246700
0.772	Intermediate Similarity	NPC471284
0.7719	Intermediate Similarity	NPC474561
0.7719	Intermediate Similarity	NPC49954
0.7712	Intermediate Similarity	NPC250361
0.7708	Intermediate Similarity	NPC235900
0.7706	Intermediate Similarity	NPC102423
0.7697	Intermediate Similarity	NPC190007
0.7696	Intermediate Similarity	NPC234999
0.7688	Intermediate Similarity	NPC312092
0.7684	Intermediate Similarity	NPC87755
0.768	Intermediate Similarity	NPC469497
0.768	Intermediate Similarity	NPC106833
0.7679	Intermediate Similarity	NPC286427
0.7674	Intermediate Similarity	NPC63751
0.7667	Intermediate Similarity	NPC317030
0.766	Intermediate Similarity	NPC98715
0.7654	Intermediate Similarity	NPC94943
0.7647	Intermediate Similarity	NPC300183
0.7641	Intermediate Similarity	NPC96131
0.764	Intermediate Similarity	NPC472109
0.764	Intermediate Similarity	NPC472110
0.7619	Intermediate Similarity	NPC141353
0.7616	Intermediate Similarity	NPC54988
0.7616	Intermediate Similarity	NPC160105
0.7604	Intermediate Similarity	NPC475422
0.7602	Intermediate Similarity	NPC472587
0.7596	Intermediate Similarity	NPC47190
0.7592	Intermediate Similarity	NPC258062
0.7592	Intermediate Similarity	NPC127677
0.7586	Intermediate Similarity	NPC6982
0.7584	Intermediate Similarity	NPC314394
0.7579	Intermediate Similarity	NPC187456
0.7577	Intermediate Similarity	NPC473547
0.7571	Intermediate Similarity	NPC133261
0.7569	Intermediate Similarity	NPC204565
0.7568	Intermediate Similarity	NPC11445
0.7566	Intermediate Similarity	NPC41174
0.7561	Intermediate Similarity	NPC314372
0.7556	Intermediate Similarity	NPC473189
0.7554	Intermediate Similarity	NPC474177
0.7544	Intermediate Similarity	NPC282231
0.7542	Intermediate Similarity	NPC212535
0.7539	Intermediate Similarity	NPC46225
0.7539	Intermediate Similarity	NPC225821
0.7538	Intermediate Similarity	NPC97388
0.7531	Intermediate Similarity	NPC2949
0.7529	Intermediate Similarity	NPC41257
0.7527	Intermediate Similarity	NPC65215
0.7527	Intermediate Similarity	NPC173028
0.7527	Intermediate Similarity	NPC153042
0.7527	Intermediate Similarity	NPC229332
0.7527	Intermediate Similarity	NPC232130
0.7526	Intermediate Similarity	NPC475778
0.7516	Intermediate Similarity	NPC22079
0.7514	Intermediate Similarity	NPC157828
0.7514	Intermediate Similarity	NPC195239
0.75	Intermediate Similarity	NPC162799
0.75	Intermediate Similarity	NPC194640
0.75	Intermediate Similarity	NPC271734
0.75	Intermediate Similarity	NPC203614
0.75	Intermediate Similarity	NPC204491
0.75	Intermediate Similarity	NPC249040
0.75	Intermediate Similarity	NPC200743
0.7487	Intermediate Similarity	NPC265576
0.7487	Intermediate Similarity	NPC475602
0.7486	Intermediate Similarity	NPC469501
0.7486	Intermediate Similarity	NPC469470
0.7486	Intermediate Similarity	NPC329858
0.7486	Intermediate Similarity	NPC233936
0.7485	Intermediate Similarity	NPC279918
0.7485	Intermediate Similarity	NPC131718
0.7471	Intermediate Similarity	NPC299594
0.747	Intermediate Similarity	NPC21605
0.7459	Intermediate Similarity	NPC188387
0.7459	Intermediate Similarity	NPC163421
0.7458	Intermediate Similarity	NPC472122
0.7458	Intermediate Similarity	NPC24594
0.7449	Intermediate Similarity	NPC160527
0.7449	Intermediate Similarity	NPC473650
0.7444	Intermediate Similarity	NPC163055
0.7443	Intermediate Similarity	NPC314603
0.7443	Intermediate Similarity	NPC474409
0.7439	Intermediate Similarity	NPC190296
0.7437	Intermediate Similarity	NPC61813
0.7427	Intermediate Similarity	NPC56765
0.7427	Intermediate Similarity	NPC206819
0.7427	Intermediate Similarity	NPC318065
0.7423	Intermediate Similarity	NPC59084
0.7421	Intermediate Similarity	NPC474116
0.7421	Intermediate Similarity	NPC162730
0.7419	Intermediate Similarity	NPC133366
0.7418	Intermediate Similarity	NPC474707
0.7416	Intermediate Similarity	NPC326575
0.7416	Intermediate Similarity	NPC59269

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC154293 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	191
0.1-0.2	590
0.2-0.3	777
0.3-0.4	1424
0.4-0.5	3196
0.5-0.6	2184
0.6-0.7	684
0.7-0.8	114
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
0.8193	Intermediate Similarity	NPD5744	Clinical (unspecified phase)
0.7874	Intermediate Similarity	NPD4079	Approved
0.7874	Intermediate Similarity	NPD4076	Approved
0.7857	Intermediate Similarity	NPD972	Clinical (unspecified phase)
0.7836	Intermediate Similarity	NPD1325	Approved
0.7836	Intermediate Similarity	NPD1326	Approved
0.7833	Intermediate Similarity	NPD6630	Clinical (unspecified phase)
0.7816	Intermediate Similarity	NPD3505	Approved
0.7816	Intermediate Similarity	NPD3506	Approved
0.7812	Intermediate Similarity	NPD1592	Phase 3
0.7784	Intermediate Similarity	NPD4600	Approved
0.7784	Intermediate Similarity	NPD4601	Approved
0.7746	Intermediate Similarity	NPD4112	Clinical (unspecified phase)
0.7725	Intermediate Similarity	NPD6026	Approved
0.7697	Intermediate Similarity	NPD4463	Approved
0.7697	Intermediate Similarity	NPD4462	Approved
0.7637	Intermediate Similarity	NPD5913	Phase 3
0.7637	Intermediate Similarity	NPD5912	Clinical (unspecified phase)
0.7607	Intermediate Similarity	NPD5254	Discontinued
0.7572	Intermediate Similarity	NPD5021	Discontinued
0.7571	Intermediate Similarity	NPD8386	Phase 2
0.7569	Intermediate Similarity	NPD8431	Approved
0.7557	Intermediate Similarity	NPD2380	Approved
0.7557	Intermediate Similarity	NPD2382	Approved
0.7557	Intermediate Similarity	NPD2381	Approved
0.7547	Intermediate Similarity	NPD4880	Discontinued
0.7545	Intermediate Similarity	NPD6476	Clinical (unspecified phase)
0.7545	Intermediate Similarity	NPD6158	Phase 2
0.7531	Intermediate Similarity	NPD3943	Clinical (unspecified phase)
0.7529	Intermediate Similarity	NPD4184	Clinical (unspecified phase)
0.7528	Intermediate Similarity	NPD8464	Clinical (unspecified phase)
0.7528	Intermediate Similarity	NPD6595	Phase 3
0.75	Intermediate Similarity	NPD5065	Approved
0.7471	Intermediate Similarity	NPD4638	Approved
0.7471	Intermediate Similarity	NPD4640	Approved
0.7471	Intermediate Similarity	NPD4639	Approved
0.7459	Intermediate Similarity	NPD6610	Clinical (unspecified phase)
0.7458	Intermediate Similarity	NPD6375	Clinical (unspecified phase)
0.7444	Intermediate Similarity	NPD5522	Clinical (unspecified phase)
0.7433	Intermediate Similarity	NPD5003	Discontinued
0.7416	Intermediate Similarity	NPD2144	Approved
0.7399	Intermediate Similarity	NPD3323	Discontinued
0.7389	Intermediate Similarity	NPD3038	Discontinued
0.7371	Intermediate Similarity	NPD5069	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD4511	Phase 1
0.7348	Intermediate Similarity	NPD5596	Phase 2
0.7346	Intermediate Similarity	NPD1262	Discovery
0.7345	Intermediate Similarity	NPD7418	Discontinued
0.733	Intermediate Similarity	NPD7474	Suspended
0.7318	Intermediate Similarity	NPD4181	Approved
0.7318	Intermediate Similarity	NPD6203	Clinical (unspecified phase)
0.7312	Intermediate Similarity	NPD6619	Phase 3
0.7306	Intermediate Similarity	NPD7958	Clinical (unspecified phase)
0.7306	Intermediate Similarity	NPD7957	Phase 1
0.7299	Intermediate Similarity	NPD5138	Approved
0.7299	Intermediate Similarity	NPD5140	Approved
0.7297	Intermediate Similarity	NPD4499	Approved
0.7278	Intermediate Similarity	NPD2172	Phase 1
0.7273	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD2844	Phase 3
0.7263	Intermediate Similarity	NPD4118	Clinical (unspecified phase)
0.7235	Intermediate Similarity	NPD2882	Phase 1
0.7231	Intermediate Similarity	NPD7947	Clinical (unspecified phase)
0.7229	Intermediate Similarity	NPD3525	Discontinued
0.7225	Intermediate Similarity	NPD1554	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD3100	Discontinued
0.7207	Intermediate Similarity	NPD4128	Approved
0.7194	Intermediate Similarity	NPD2125	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD3835	Phase 3
0.7176	Intermediate Similarity	NPD3833	Phase 3
0.7169	Intermediate Similarity	NPD1722	Approved
0.7168	Intermediate Similarity	NPD4669	Clinical (unspecified phase)
0.7168	Intermediate Similarity	NPD4671	Clinical (unspecified phase)
0.7168	Intermediate Similarity	NPD4670	Clinical (unspecified phase)
0.7167	Intermediate Similarity	NPD4075	Phase 2
0.716	Intermediate Similarity	NPD4703	Approved
0.716	Intermediate Similarity	NPD4702	Approved
0.7158	Intermediate Similarity	NPD5728	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD786	Approved
0.7151	Intermediate Similarity	NPD8110	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD1685	Approved
0.7143	Intermediate Similarity	NPD1684	Approved
0.7126	Intermediate Similarity	NPD4637	Clinical (unspecified phase)
0.7118	Intermediate Similarity	NPD4374	Clinical (unspecified phase)
0.7112	Intermediate Similarity	NPD2565	Phase 2
0.7112	Intermediate Similarity	NPD2564	Approved
0.7112	Intermediate Similarity	NPD6281	Approved
0.7111	Intermediate Similarity	NPD6492	Phase 2
0.7102	Intermediate Similarity	NPD6635	Approved
0.7101	Intermediate Similarity	NPD1683	Approved
0.7097	Intermediate Similarity	NPD6141	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD3961	Discontinued
0.7097	Intermediate Similarity	NPD3486	Clinical (unspecified phase)
0.7095	Intermediate Similarity	NPD3610	Approved
0.7095	Intermediate Similarity	NPD3609	Approved
0.7073	Intermediate Similarity	NPD3864	Clinical (unspecified phase)
0.7073	Intermediate Similarity	NPD198	Clinical (unspecified phase)
0.7072	Intermediate Similarity	NPD749	Clinical (unspecified phase)
0.7068	Intermediate Similarity	NPD7948	Phase 1
0.7065	Intermediate Similarity	NPD2095	Phase 2
0.7065	Intermediate Similarity	NPD2094	Phase 2
0.7065	Intermediate Similarity	NPD2092	Phase 2
0.7059	Intermediate Similarity	NPD1534	Approved
0.7055	Intermediate Similarity	NPD3385	Approved
0.7049	Intermediate Similarity	NPD5473	Discontinued
0.7035	Intermediate Similarity	NPD5939	Approved
0.7035	Intermediate Similarity	NPD5936	Approved
0.7027	Intermediate Similarity	NPD2096	Phase 2
0.7027	Intermediate Similarity	NPD2091	Phase 2
0.7017	Intermediate Similarity	NPD482	Approved
0.7015	Intermediate Similarity	NPD8112	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD5934	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD1038	Approved
0.7	Intermediate Similarity	NPD1528	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD6739	Clinical (unspecified phase)
0.6995	Remote Similarity	NPD2177	Approved
0.6995	Remote Similarity	NPD2175	Phase 3
0.6995	Remote Similarity	NPD2176	Approved
0.6989	Remote Similarity	NPD6344	Clinical (unspecified phase)
0.6978	Remote Similarity	NPD5501	Discontinued
0.6974	Remote Similarity	NPD5721	Clinical (unspecified phase)
0.6963	Remote Similarity	NPD3791	Clinical (unspecified phase)
0.6961	Remote Similarity	NPD6183	Clinical (unspecified phase)
0.6961	Remote Similarity	NPD43	Approved
0.6961	Remote Similarity	NPD6182	Approved
0.6957	Remote Similarity	NPD5898	Approved
0.6957	Remote Similarity	NPD5897	Approved
0.6957	Remote Similarity	NPD5899	Approved
0.6954	Remote Similarity	NPD5257	Clinical (unspecified phase)
0.6954	Remote Similarity	NPD3003	Approved
0.6947	Remote Similarity	NPD3404	Approved
0.6946	Remote Similarity	NPD5164	Discontinued
0.6943	Remote Similarity	NPD3230	Clinical (unspecified phase)
0.694	Remote Similarity	NPD8123	Approved
0.694	Remote Similarity	NPD6159	Phase 2
0.694	Remote Similarity	NPD8122	Approved
0.6939	Remote Similarity	NPD6176	Phase 1
0.6935	Remote Similarity	NPD5083	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD1251	Discontinued
0.6927	Remote Similarity	NPD7935	Phase 2
0.6919	Remote Similarity	NPD4383	Clinical (unspecified phase)
0.6919	Remote Similarity	NPD8322	Phase 2
0.6914	Remote Similarity	NPD947	Approved
0.6914	Remote Similarity	NPD3654	Approved
0.6911	Remote Similarity	NPD1304	Clinical (unspecified phase)
0.6907	Remote Similarity	NPD8396	Approved
0.6907	Remote Similarity	NPD8395	Approved
0.6904	Remote Similarity	NPD5426	Phase 3
0.6897	Remote Similarity	NPD2837	Discontinued
0.6889	Remote Similarity	NPD2640	Approved
0.6889	Remote Similarity	NPD2641	Approved
0.6889	Remote Similarity	NPD4779	Clinical (unspecified phase)
0.6882	Remote Similarity	NPD4345	Clinical (unspecified phase)
0.6881	Remote Similarity	NPD8094	Discontinued
0.6878	Remote Similarity	NPD7233	Approved
0.6878	Remote Similarity	NPD7234	Approved
0.6875	Remote Similarity	NPD3324	Clinical (unspecified phase)
0.6872	Remote Similarity	NPD4501	Approved
0.6872	Remote Similarity	NPD4550	Clinical (unspecified phase)
0.6872	Remote Similarity	NPD4500	Approved
0.6864	Remote Similarity	NPD3834	Clinical (unspecified phase)
0.6853	Remote Similarity	NPD2920	Discontinued
0.6853	Remote Similarity	NPD8072	Approved
0.6847	Remote Similarity	NPD7707	Approved
0.6845	Remote Similarity	NPD3607	Clinical (unspecified phase)
0.6839	Remote Similarity	NPD6449	Clinical (unspecified phase)
0.6837	Remote Similarity	NPD6145	Phase 1
0.6834	Remote Similarity	NPD6838	Clinical (unspecified phase)
0.6832	Remote Similarity	NPD8093	Discontinued
0.6831	Remote Similarity	NPD2928	Phase 2
0.6825	Remote Similarity	NPD2383	Phase 1
0.6824	Remote Similarity	NPD3717	Discontinued
0.6821	Remote Similarity	NPD6661	Clinical (unspecified phase)
0.6821	Remote Similarity	NPD3825	Phase 3
0.6818	Remote Similarity	NPD5901	Discontinued
0.6811	Remote Similarity	NPD3417	Phase 1
0.6811	Remote Similarity	NPD5398	Clinical (unspecified phase)
0.6804	Remote Similarity	NPD6664	Approved
0.68	Remote Similarity	NPD2916	Discontinued
0.68	Remote Similarity	NPD5658	Approved
0.68	Remote Similarity	NPD6376	Discontinued
0.6798	Remote Similarity	NPD1403	Approved
0.6798	Remote Similarity	NPD1404	Approved
0.6796	Remote Similarity	NPD5862	Discovery
0.679	Remote Similarity	NPD995	Clinical (unspecified phase)
0.6788	Remote Similarity	NPD6491	Clinical (unspecified phase)
0.6788	Remote Similarity	NPD7944	Discontinued
0.6784	Remote Similarity	NPD4862	Clinical (unspecified phase)
0.678	Remote Similarity	NPD4326	Phase 2
0.6776	Remote Similarity	NPD750	Phase 2
0.6769	Remote Similarity	NPD53	Approved
0.6769	Remote Similarity	NPD7778	Approved
0.6769	Remote Similarity	NPD7777	Approved
0.6766	Remote Similarity	NPD1255	Approved
0.6766	Remote Similarity	NPD1254	Approved
0.6766	Remote Similarity	NPD1253	Approved
0.6766	Remote Similarity	NPD1256	Approved
0.6765	Remote Similarity	NPD5903	Approved
0.6765	Remote Similarity	NPD5902	Approved
0.675	Remote Similarity	NPD6290	Phase 2

Structure

NPC154293 OpenBabel07101718332D 25 29 0 0 1 0 0 0 0 0999 V2000 -3.5491 -2.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7429 1.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3664 1.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6831 -2.3090 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 -4.4152 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4152 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9886 0.9425 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 -3.5491 -1.8090 0.0000 C 0 0 2 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 -1.8171 0.1910 0.0000 C 0 0 1 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 -3.5491 0.1910 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 -2.6831 1.2769 0.0000 C 0 0 1 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 -0.9511 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3776 0.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6831 -1.3090 0.0000 C 0 0 1 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 -2.6831 2.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 22 1 0 0 0 0 3 22 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 14 2 0 0 0 0 8 18 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 17 1 0 0 0 0 11 19 1 0 0 0 0 12 16 1 0 0 0 0 12 23 1 0 0 0 0 13 23 1 6 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 15 11 1 6 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 16 21 2 0 0 0 0 17 20 2 0 0 0 0 17 22 1 0 0 0 0 18 24 1 0 0 0 0 19 22 1 0 0 0 0 19 25 1 1 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 23 4 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	46831719
ChEMBL	CHEMBL1095099
ZINC

Physicochemical Properties

Molecular Weight:	335.22
ALogP:	1.4608
MLogP:	3.77
XLogP:	4.619
# Rotatable Bonds:	5
Polar Surface Area:	36.02
# H-Bond Aceptor:	2
# H-Bond Donor:	2
# Rings:	5
# Heavy Atoms:	25

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