NPASS Natural Product

Natural Product: NPC184476

Natural Product ID:	NPC184476
Common Name:	Cryptoechinuline G
IUPAC Name:	(3Z)-3-[[2-(2-methylbut-3-en-2-yl)-4,5-bis(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]-6-methylidenepiperazine-2,5-dione
Synonyms:	Cryptoechinuline G
Molecular Formula:	C29H35N3O2
Standard InCHIKey:	HPZFXKBNCMYWKJ-JLPGSUDCSA-N
Standard InCHI:	InChI=1S/C29H35N3O2/c1-9-29(7,8)26-22(16-24-28(34)30-19(6)27(33)32-24)25-21(14-11-18(4)5)20(12-10-17(2)3)13-15-23(25)31-26/h9-11,13,15-16,31H,1,6,12,14H2,2-5,7-8H3,(H,30,34)(H,32,33)/b24-16-
Canonical SMILES:	C=CC(c1[nH]c2c(c1/C=c/1 c(O)c(=C)nc1O)c(CC=C(C)C)c(cc2)CC=C(C)C)(C)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
NPO31540	Aspergillus variecolor	Species	Aspergillaceae	Eukaryota				PMID[17896816]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	=	51000	nM	10.6019/CHEMBL1201861

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 NPC184476 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	342
0.1-0.2	2249
0.2-0.3	11374
0.3-0.4	11946
0.4-0.5	2387
0.5-0.6	1357
0.6-0.7	921
0.7-0.8	260
0.8-0.85	35
0.85-0.9	8
0.9-0.95	8
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9653	High Similarity	NPC124005
0.9514	High Similarity	NPC129042
0.9404	High Similarity	NPC472587
0.9392	High Similarity	NPC38736
0.9375	High Similarity	NPC242556
0.9145	High Similarity	NPC473320
0.9122	High Similarity	NPC37548
0.9122	High Similarity	NPC187951
0.9038	High Similarity	NPC280548
0.9026	High Similarity	NPC271734
0.8882	High Similarity	NPC470507
0.8882	High Similarity	NPC471458
0.8766	High Similarity	NPC299594
0.8742	High Similarity	NPC6982
0.8718	High Similarity	NPC16667
0.8688	High Similarity	NPC34508
0.859	High Similarity	NPC67056
0.858	High Similarity	NPC288785
0.8476	Intermediate Similarity	NPC270009
0.8462	Intermediate Similarity	NPC285469
0.8431	Intermediate Similarity	NPC477134
0.8397	Intermediate Similarity	NPC207726
0.8375	Intermediate Similarity	NPC470508
0.8373	Intermediate Similarity	NPC192270
0.8356	Intermediate Similarity	NPC179365
0.8356	Intermediate Similarity	NPC475450
0.8323	Intermediate Similarity	NPC33421
0.8323	Intermediate Similarity	NPC105818
0.8323	Intermediate Similarity	NPC24678
0.8288	Intermediate Similarity	NPC22079
0.8253	Intermediate Similarity	NPC215795
0.8253	Intermediate Similarity	NPC176199
0.8221	Intermediate Similarity	NPC194411
0.8219	Intermediate Similarity	NPC473587
0.8212	Intermediate Similarity	NPC312092
0.8193	Intermediate Similarity	NPC68354
0.8187	Intermediate Similarity	NPC46413
0.8182	Intermediate Similarity	NPC32200
0.8163	Intermediate Similarity	NPC475428
0.8151	Intermediate Similarity	NPC473762
0.8113	Intermediate Similarity	NPC141353
0.8084	Intermediate Similarity	NPC293472
0.8072	Intermediate Similarity	NPC275305
0.8072	Intermediate Similarity	NPC37423
0.8065	Intermediate Similarity	NPC159856
0.8054	Intermediate Similarity	NPC473930
0.8039	Intermediate Similarity	NPC2949
0.8036	Intermediate Similarity	NPC472443
0.8014	Intermediate Similarity	NPC250361
0.8012	Intermediate Similarity	NPC476319
0.8012	Intermediate Similarity	NPC318065
0.8012	Intermediate Similarity	NPC206819
0.8	Intermediate Similarity	NPC472444
0.7986	Intermediate Similarity	NPC41174
0.795	Intermediate Similarity	NPC286427
0.7949	Intermediate Similarity	NPC314372
0.7935	Intermediate Similarity	NPC190296
0.7901	Intermediate Similarity	NPC92796
0.7901	Intermediate Similarity	NPC41257
0.7901	Intermediate Similarity	NPC135141
0.7882	Intermediate Similarity	NPC198339
0.7879	Intermediate Similarity	NPC49954
0.7879	Intermediate Similarity	NPC474561
0.7875	Intermediate Similarity	NPC25008
0.7875	Intermediate Similarity	NPC469786
0.7875	Intermediate Similarity	NPC469760
0.7875	Intermediate Similarity	NPC73952
0.7875	Intermediate Similarity	NPC469765
0.7875	Intermediate Similarity	NPC259644
0.7875	Intermediate Similarity	NPC469763
0.7866	Intermediate Similarity	NPC194640
0.7866	Intermediate Similarity	NPC90723
0.7857	Intermediate Similarity	NPC472586
0.7853	Intermediate Similarity	NPC44773
0.7853	Intermediate Similarity	NPC215584
0.7844	Intermediate Similarity	NPC470498
0.7831	Intermediate Similarity	NPC154293
0.7831	Intermediate Similarity	NPC201700
0.7829	Intermediate Similarity	NPC198988
0.7826	Intermediate Similarity	NPC80597
0.7826	Intermediate Similarity	NPC75540
0.7826	Intermediate Similarity	NPC70922
0.7826	Intermediate Similarity	NPC212376
0.7826	Intermediate Similarity	NPC211572
0.7809	Intermediate Similarity	NPC205403
0.7806	Intermediate Similarity	NPC469784
0.7806	Intermediate Similarity	NPC469767
0.7806	Intermediate Similarity	NPC469780
0.7806	Intermediate Similarity	NPC469768
0.7806	Intermediate Similarity	NPC469779
0.7806	Intermediate Similarity	NPC59084
0.7806	Intermediate Similarity	NPC469761
0.7806	Intermediate Similarity	NPC469783
0.7805	Intermediate Similarity	NPC282231
0.7791	Intermediate Similarity	NPC56765
0.7791	Intermediate Similarity	NPC19679
0.7778	Intermediate Similarity	NPC325252
0.7771	Intermediate Similarity	NPC246700
0.7771	Intermediate Similarity	NPC470509
0.7758	Intermediate Similarity	NPC162799
0.7756	Intermediate Similarity	NPC63157
0.7756	Intermediate Similarity	NPC473868
0.7756	Intermediate Similarity	NPC469766
0.7744	Intermediate Similarity	NPC279918
0.7736	Intermediate Similarity	NPC21605
0.773	Intermediate Similarity	NPC469762
0.7725	Intermediate Similarity	NPC63751
0.7722	Intermediate Similarity	NPC470440
0.7722	Intermediate Similarity	NPC473747
0.7692	Intermediate Similarity	NPC97525
0.7669	Intermediate Similarity	NPC469785
0.7667	Intermediate Similarity	NPC232130
0.7665	Intermediate Similarity	NPC160105
0.7662	Intermediate Similarity	NPC218268
0.7651	Intermediate Similarity	NPC311276
0.7628	Intermediate Similarity	NPC88097
0.7628	Intermediate Similarity	NPC73767
0.7627	Intermediate Similarity	NPC469497
0.7627	Intermediate Similarity	NPC106833
0.7625	Intermediate Similarity	NPC471957
0.7613	Intermediate Similarity	NPC125746
0.7613	Intermediate Similarity	NPC84911
0.7603	Intermediate Similarity	NPC215519
0.758	Intermediate Similarity	NPC115611
0.7578	Intermediate Similarity	NPC2272
0.7571	Intermediate Similarity	NPC34271
0.7571	Intermediate Similarity	NPC128751
0.7569	Intermediate Similarity	NPC229332
0.7569	Intermediate Similarity	NPC153042
0.7561	Intermediate Similarity	NPC51054
0.756	Intermediate Similarity	NPC54988
0.756	Intermediate Similarity	NPC49217
0.7558	Intermediate Similarity	NPC248454
0.7556	Intermediate Similarity	NPC133366
0.7556	Intermediate Similarity	NPC181502
0.7556	Intermediate Similarity	NPC85066
0.7548	Intermediate Similarity	NPC96102
0.7548	Intermediate Similarity	NPC261195
0.7548	Intermediate Similarity	NPC29886
0.7545	Intermediate Similarity	NPC40779
0.7543	Intermediate Similarity	NPC190007
0.7541	Intermediate Similarity	NPC475151
0.753	Intermediate Similarity	NPC131718
0.7528	Intermediate Similarity	NPC206967
0.7517	Intermediate Similarity	NPC122718
0.7516	Intermediate Similarity	NPC110126
0.7516	Intermediate Similarity	NPC104483
0.7515	Intermediate Similarity	NPC76982
0.7514	Intermediate Similarity	NPC317030
0.7514	Intermediate Similarity	NPC88363
0.7514	Intermediate Similarity	NPC6093
0.7514	Intermediate Similarity	NPC213468
0.75	Intermediate Similarity	NPC94943
0.75	Intermediate Similarity	NPC284102
0.75	Intermediate Similarity	NPC474177
0.75	Intermediate Similarity	NPC105127
0.7486	Intermediate Similarity	NPC476175
0.7485	Intermediate Similarity	NPC314603
0.7485	Intermediate Similarity	NPC313791
0.7472	Intermediate Similarity	NPC65215
0.7472	Intermediate Similarity	NPC173028
0.7471	Intermediate Similarity	NPC91179
0.7471	Intermediate Similarity	NPC300688
0.747	Intermediate Similarity	NPC475990
0.7459	Intermediate Similarity	NPC195314
0.7457	Intermediate Similarity	NPC151939
0.7457	Intermediate Similarity	NPC59269
0.7456	Intermediate Similarity	NPC109447
0.7453	Intermediate Similarity	NPC143872
0.7443	Intermediate Similarity	NPC165201
0.7442	Intermediate Similarity	NPC329688
0.7442	Intermediate Similarity	NPC189812
0.744	Intermediate Similarity	NPC476118
0.744	Intermediate Similarity	NPC8104
0.7439	Intermediate Similarity	NPC200743
0.7429	Intermediate Similarity	NPC302191
0.7423	Intermediate Similarity	NPC53947
0.7423	Intermediate Similarity	NPC148592
0.7421	Intermediate Similarity	NPC250129
0.7416	Intermediate Similarity	NPC204565
0.7414	Intermediate Similarity	NPC72980
0.7414	Intermediate Similarity	NPC11126
0.7401	Intermediate Similarity	NPC473189
0.7397	Intermediate Similarity	NPC81561
0.7391	Intermediate Similarity	NPC204141
0.7386	Intermediate Similarity	NPC212535
0.7386	Intermediate Similarity	NPC163055
0.7378	Intermediate Similarity	NPC216713
0.7375	Intermediate Similarity	NPC20144
0.7368	Intermediate Similarity	NPC475165
0.736	Intermediate Similarity	NPC474707
0.7358	Intermediate Similarity	NPC279081
0.7358	Intermediate Similarity	NPC284635
0.7346	Intermediate Similarity	NPC288838
0.7345	Intermediate Similarity	NPC228835
0.7337	Intermediate Similarity	NPC21174
0.7337	Intermediate Similarity	NPC265576
0.7337	Intermediate Similarity	NPC102423
0.7337	Intermediate Similarity	NPC271797
0.7333	Intermediate Similarity	NPC200214

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC184476 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	244
0.1-0.2	622
0.2-0.3	1054
0.3-0.4	1558
0.4-0.5	2764
0.5-0.6	2065
0.6-0.7	732
0.7-0.8	108
0.8-0.85	14
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8491	Intermediate Similarity	NPD5744	Clinical (unspecified phase)
0.8442	Intermediate Similarity	NPD4463	Approved
0.8442	Intermediate Similarity	NPD4462	Approved
0.8355	Intermediate Similarity	NPD5254	Discontinued
0.8193	Intermediate Similarity	NPD3506	Approved
0.8193	Intermediate Similarity	NPD3505	Approved
0.816	Intermediate Similarity	NPD5021	Discontinued
0.8144	Intermediate Similarity	NPD4079	Approved
0.8144	Intermediate Similarity	NPD4076	Approved
0.8141	Intermediate Similarity	NPD3100	Discontinued
0.811	Intermediate Similarity	NPD1325	Approved
0.811	Intermediate Similarity	NPD1326	Approved
0.8039	Intermediate Similarity	NPD3943	Clinical (unspecified phase)
0.8012	Intermediate Similarity	NPD4112	Clinical (unspecified phase)
0.7975	Intermediate Similarity	NPD2172	Phase 1
0.7964	Intermediate Similarity	NPD4128	Approved
0.7871	Intermediate Similarity	NPD1592	Phase 3
0.7843	Intermediate Similarity	NPD1262	Discovery
0.7831	Intermediate Similarity	NPD5069	Clinical (unspecified phase)
0.7824	Intermediate Similarity	NPD8386	Phase 2
0.7816	Intermediate Similarity	NPD3961	Discontinued
0.7811	Intermediate Similarity	NPD4075	Phase 2
0.775	Intermediate Similarity	NPD3835	Phase 3
0.775	Intermediate Similarity	NPD3833	Phase 3
0.7725	Intermediate Similarity	NPD4640	Approved
0.7725	Intermediate Similarity	NPD4638	Approved
0.7725	Intermediate Similarity	NPD4639	Approved
0.7684	Intermediate Similarity	NPD6630	Clinical (unspecified phase)
0.7673	Intermediate Similarity	NPD1683	Approved
0.7661	Intermediate Similarity	NPD2144	Approved
0.7661	Intermediate Similarity	NPD4181	Approved
0.7651	Intermediate Similarity	NPD3323	Discontinued
0.7628	Intermediate Similarity	NPD786	Approved
0.7614	Intermediate Similarity	NPD3486	Clinical (unspecified phase)
0.7596	Intermediate Similarity	NPD4511	Phase 1
0.7578	Intermediate Similarity	NPD4374	Clinical (unspecified phase)
0.7558	Intermediate Similarity	NPD6203	Clinical (unspecified phase)
0.7548	Intermediate Similarity	NPD198	Clinical (unspecified phase)
0.7543	Intermediate Similarity	NPD3607	Clinical (unspecified phase)
0.7532	Intermediate Similarity	NPD1722	Approved
0.753	Intermediate Similarity	NPD1403	Approved
0.753	Intermediate Similarity	NPD1404	Approved
0.7529	Intermediate Similarity	NPD3038	Discontinued
0.7515	Intermediate Similarity	NPD2641	Approved
0.7515	Intermediate Similarity	NPD2640	Approved
0.7514	Intermediate Similarity	NPD8431	Approved
0.7471	Intermediate Similarity	NPD702	Clinical (unspecified phase)
0.7471	Intermediate Similarity	NPD4184	Clinical (unspecified phase)
0.7456	Intermediate Similarity	NPD2642	Approved
0.7456	Intermediate Similarity	NPD2639	Approved
0.7442	Intermediate Similarity	NPD5065	Approved
0.744	Intermediate Similarity	NPD5140	Approved
0.744	Intermediate Similarity	NPD5138	Approved
0.7427	Intermediate Similarity	NPD3610	Approved
0.7427	Intermediate Similarity	NPD3609	Approved
0.7421	Intermediate Similarity	NPD3834	Clinical (unspecified phase)
0.7412	Intermediate Similarity	NPD4779	Clinical (unspecified phase)
0.7412	Intermediate Similarity	NPD2185	Clinical (unspecified phase)
0.7401	Intermediate Similarity	NPD6610	Clinical (unspecified phase)
0.7396	Intermediate Similarity	NPD4550	Clinical (unspecified phase)
0.7386	Intermediate Similarity	NPD3654	Approved
0.7381	Intermediate Similarity	NPD972	Clinical (unspecified phase)
0.7375	Intermediate Similarity	NPD4637	Clinical (unspecified phase)
0.7372	Intermediate Similarity	NPD4880	Discontinued
0.7371	Intermediate Similarity	NPD8464	Clinical (unspecified phase)
0.7312	Intermediate Similarity	NPD5020	Approved
0.731	Intermediate Similarity	NPD2844	Phase 3
0.7308	Intermediate Similarity	NPD3385	Approved
0.7283	Intermediate Similarity	NPD6664	Approved
0.7273	Intermediate Similarity	NPD947	Approved
0.7273	Intermediate Similarity	NPD6595	Phase 3
0.7273	Intermediate Similarity	NPD2882	Phase 1
0.7262	Intermediate Similarity	NPD1554	Clinical (unspecified phase)
0.7246	Intermediate Similarity	NPD2150	Discontinued
0.7229	Intermediate Similarity	NPD2837	Discontinued
0.7222	Intermediate Similarity	NPD6141	Clinical (unspecified phase)
0.7202	Intermediate Similarity	NPD4326	Phase 2
0.72	Intermediate Similarity	NPD6375	Clinical (unspecified phase)
0.7195	Intermediate Similarity	NPD4547	Phase 3
0.7193	Intermediate Similarity	NPD2720	Phase 1
0.7193	Intermediate Similarity	NPD2915	Discontinued
0.7193	Intermediate Similarity	NPD2719	Clinical (unspecified phase)
0.7191	Intermediate Similarity	NPD5728	Clinical (unspecified phase)
0.7191	Intermediate Similarity	NPD3318	Approved
0.7191	Intermediate Similarity	NPD3320	Approved
0.7191	Intermediate Similarity	NPD3319	Phase 1
0.7174	Intermediate Similarity	NPD3791	Clinical (unspecified phase)
0.717	Intermediate Similarity	NPD45	Approved
0.717	Intermediate Similarity	NPD6554	Approved
0.7169	Intermediate Similarity	NPD6476	Clinical (unspecified phase)
0.7169	Intermediate Similarity	NPD6158	Phase 2
0.7143	Intermediate Similarity	NPD4499	Approved
0.7143	Intermediate Similarity	NPD2580	Discontinued
0.7134	Intermediate Similarity	NPD1528	Clinical (unspecified phase)
0.7107	Intermediate Similarity	NPD1254	Approved
0.7107	Intermediate Similarity	NPD1253	Approved
0.7107	Intermediate Similarity	NPD1256	Approved
0.7107	Intermediate Similarity	NPD1255	Approved
0.7105	Intermediate Similarity	NPD5901	Discontinued
0.7102	Intermediate Similarity	NPD5104	Approved
0.7102	Intermediate Similarity	NPD2380	Approved
0.7102	Intermediate Similarity	NPD2382	Approved
0.7102	Intermediate Similarity	NPD2381	Approved
0.7102	Intermediate Similarity	NPD749	Clinical (unspecified phase)
0.7095	Intermediate Similarity	NPD5596	Phase 2
0.7095	Intermediate Similarity	NPD5106	Approved
0.7095	Intermediate Similarity	NPD5105	Approved
0.7088	Intermediate Similarity	NPD8110	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD7618	Phase 3
0.7081	Intermediate Similarity	NPD7619	Phase 3
0.7076	Intermediate Similarity	NPD1853	Clinical (unspecified phase)
0.7076	Intermediate Similarity	NPD5315	Discontinued
0.707	Intermediate Similarity	NPD1251	Discontinued
0.7045	Intermediate Similarity	NPD482	Approved
0.7043	Intermediate Similarity	NPD6449	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.7026	Intermediate Similarity	NPD7455	Approved
0.7026	Intermediate Similarity	NPD7454	Approved
0.7005	Intermediate Similarity	NPD7948	Phase 1
0.7	Intermediate Similarity	NPD2095	Phase 2
0.7	Intermediate Similarity	NPD2092	Phase 2
0.7	Intermediate Similarity	NPD2094	Phase 2
0.6983	Remote Similarity	NPD5473	Discontinued
0.6973	Remote Similarity	NPD3404	Approved
0.6961	Remote Similarity	NPD2096	Phase 2
0.6961	Remote Similarity	NPD2091	Phase 2
0.6957	Remote Similarity	NPD6281	Approved
0.6957	Remote Similarity	NPD5145	Clinical (unspecified phase)
0.6951	Remote Similarity	NPD4047	Discontinued
0.6947	Remote Similarity	NPD6145	Phase 1
0.694	Remote Similarity	NPD2310	Clinical (unspecified phase)
0.6939	Remote Similarity	NPD8093	Discontinued
0.6927	Remote Similarity	NPD40	Phase 2
0.6927	Remote Similarity	NPD5730	Phase 2
0.6919	Remote Similarity	NPD5912	Clinical (unspecified phase)
0.6919	Remote Similarity	NPD5913	Phase 3
0.6919	Remote Similarity	NPD6180	Clinical (unspecified phase)
0.691	Remote Similarity	NPD5100	Phase 3
0.691	Remote Similarity	NPD4332	Phase 3
0.6906	Remote Similarity	NPD5522	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD4671	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD4669	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD4670	Clinical (unspecified phase)
0.6889	Remote Similarity	NPD6277	Clinical (unspecified phase)
0.6886	Remote Similarity	NPD4702	Approved
0.6886	Remote Similarity	NPD4703	Approved
0.6885	Remote Similarity	NPD6217	Discontinued
0.6885	Remote Similarity	NPD4426	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD1684	Approved
0.6879	Remote Similarity	NPD1685	Approved
0.6875	Remote Similarity	NPD2920	Discontinued
0.6871	Remote Similarity	NPD680	Discontinued
0.6865	Remote Similarity	NPD2564	Approved
0.6865	Remote Similarity	NPD2565	Phase 2
0.6854	Remote Similarity	NPD6492	Phase 2
0.6848	Remote Similarity	NPD2383	Phase 1
0.6842	Remote Similarity	NPD2748	Clinical (unspecified phase)
0.6836	Remote Similarity	NPD6827	Clinical (unspecified phase)
0.6836	Remote Similarity	NPD6828	Phase 2
0.6833	Remote Similarity	NPD3417	Phase 1
0.6831	Remote Similarity	NPD5075	Discontinued
0.6826	Remote Similarity	NPD7469	Discontinued
0.6825	Remote Similarity	NPD5003	Discontinued
0.6824	Remote Similarity	NPD2012	Clinical (unspecified phase)
0.6821	Remote Similarity	NPD7947	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD8094	Discontinued
0.6811	Remote Similarity	NPD1534	Approved
0.681	Remote Similarity	NPD2323	Clinical (unspecified phase)
0.6807	Remote Similarity	NPD1918	Clinical (unspecified phase)
0.6804	Remote Similarity	NPD4862	Clinical (unspecified phase)
0.6798	Remote Similarity	NPD5996	Clinical (unspecified phase)
0.6798	Remote Similarity	NPD750	Phase 2
0.6792	Remote Similarity	NPD3476	Approved
0.6792	Remote Similarity	NPD3475	Approved
0.6786	Remote Similarity	NPD5835	Phase 3
0.6786	Remote Similarity	NPD2125	Clinical (unspecified phase)
0.6786	Remote Similarity	NPD5834	Phase 3
0.6784	Remote Similarity	NPD6285	Phase 2
0.6784	Remote Similarity	NPD976	Approved
0.6784	Remote Similarity	NPD975	Approved
0.6784	Remote Similarity	NPD977	Approved
0.678	Remote Similarity	NPD5436	Phase 1
0.6776	Remote Similarity	NPD4957	Phase 2
0.677	Remote Similarity	NPD4030	Approved
0.677	Remote Similarity	NPD4028	Approved
0.677	Remote Similarity	NPD4029	Approved
0.6769	Remote Similarity	NPD6838	Clinical (unspecified phase)
0.6768	Remote Similarity	NPD3330	Phase 1
0.6761	Remote Similarity	NPD4213	Clinical (unspecified phase)
0.6761	Remote Similarity	NPD4554	Clinical (unspecified phase)
0.6758	Remote Similarity	NPD7867	Phase 1
0.6758	Remote Similarity	NPD1707	Approved
0.6758	Remote Similarity	NPD4399	Phase 2
0.6758	Remote Similarity	NPD1708	Approved
0.6757	Remote Similarity	NPD5590	Clinical (unspecified phase)
0.6755	Remote Similarity	NPD1038	Approved
0.6755	Remote Similarity	NPD1304	Clinical (unspecified phase)
0.6754	Remote Similarity	NPD2176	Approved
0.6754	Remote Similarity	NPD6249	Phase 2
0.6754	Remote Similarity	NPD6248	Phase 2

Structure

NPC184476 OpenBabel07101719132D 34 36 0 0 0 0 0 0 0 0999 V2000 -1.9433 2.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8591 -3.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2563 -3.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4495 -3.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1971 -1.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8426 1.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2911 3.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2428 2.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6664 1.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6067 -2.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7999 -1.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6550 -1.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0054 -0.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7516 -1.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7047 0.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5279 -0.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9074 -3.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1488 -2.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.9730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3543 -1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4026 -0.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2131 0.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7530 0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6852 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1020 0.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3148 1.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8426 1.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8426 -0.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5917 2.1052 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 -5.2665 1.6564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6852 0.9730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8426 2.4324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8426 -1.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 17 1 0 0 0 0 3 17 1 0 0 0 0 4 18 1 0 0 0 0 5 18 1 0 0 0 0 6 19 2 0 0 0 0 7 29 1 0 0 0 0 8 29 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 17 2 0 0 0 0 11 14 1 0 0 0 0 11 18 2 0 0 0 0 12 20 1 0 0 0 0 13 15 2 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 15 23 1 0 0 0 0 16 22 1 0 0 0 0 16 24 2 0 0 0 0 19 27 1 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 21 25 1 0 0 0 0 22 25 1 0 0 0 0 22 26 2 0 0 0 0 23 25 2 0 0 0 0 23 31 1 0 0 0 0 24 28 1 0 0 0 0 24 32 1 0 0 0 0 26 29 1 0 0 0 0 26 31 1 0 0 0 0 27 32 2 0 0 0 0 27 33 1 0 0 0 0 28 30 2 0 0 0 0 28 34 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	21586651
ChEMBL	CHEMBL251474
ZINC

Physicochemical Properties

Molecular Weight:	457.27
ALogP:	5.0746
MLogP:	4.1
XLogP:	7.34
# Rotatable Bonds:	15
Polar Surface Area:	80.97
# H-Bond Aceptor:	5
# H-Bond Donor:	3
# Rings:	3
# Heavy Atoms:	34

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