NPASS Natural Product

Natural Product: NPC225018

Natural Product ID:	NPC225018
Common Name:	N-Hydroxyannomontine
IUPAC Name:	4-(9-hydroxypyrido[3,4-b]indol-1-yl)pyrimidin-2-amine
Synonyms:	N-Hydroxyannomontine
Molecular Formula:	C15H11N5O
Standard InCHIKey:	CUDZAZQWOSIPTN-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C15H11N5O/c16-15-18-8-6-11(19-15)13-14-10(5-7-17-13)9-3-1-2-4-12(9)20(14)21/h1-8,21H,(H2,16,18,19)
Canonical SMILES:	N=c1[nH]ccc(n1)c1nccc2c1n(O)c1c2cccc1
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
NPO7436	Annona foetida	Species	Annonaceae	Eukaryota				PMID[16499336]

Biological Activity

Activity Type	# Activity
IC50	2

Activity Type	# Activity
Organism	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT3631	Organism	Leishmania guyanensis	Leishmania guyanensis	IC50	=	437500	nM	22522694
NPT1208	Organism	Leishmania braziliensis	Leishmania braziliensis	IC50	=	252700	nM	DrugMatrix in vitro pharmacology data

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 NPC225018 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	791
0.1-0.2	10258
0.2-0.3	13220
0.3-0.4	3105
0.4-0.5	1318
0.5-0.6	1179
0.6-0.7	707
0.7-0.8	269
0.8-0.85	29
0.85-0.9	11
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9408	High Similarity	NPC122141
0.9032	High Similarity	NPC470204
0.8974	High Similarity	NPC470203
0.894	High Similarity	NPC470111
0.8816	High Similarity	NPC469811
0.8758	High Similarity	NPC321911
0.875	High Similarity	NPC63545
0.875	High Similarity	NPC143872
0.8735	High Similarity	NPC108011
0.871	High Similarity	NPC325903
0.8693	High Similarity	NPC179787
0.8693	High Similarity	NPC201380
0.8662	High Similarity	NPC236711
0.8447	Intermediate Similarity	NPC478184
0.8424	Intermediate Similarity	NPC317054
0.8375	Intermediate Similarity	NPC293487
0.8333	Intermediate Similarity	NPC317105
0.8284	Intermediate Similarity	NPC307191
0.8242	Intermediate Similarity	NPC32534
0.8224	Intermediate Similarity	NPC125746
0.8221	Intermediate Similarity	NPC478182
0.8205	Intermediate Similarity	NPC204141
0.8187	Intermediate Similarity	NPC476219
0.8182	Intermediate Similarity	NPC115611
0.816	Intermediate Similarity	NPC478185
0.8158	Intermediate Similarity	NPC96102
0.8133	Intermediate Similarity	NPC101165
0.8121	Intermediate Similarity	NPC478183
0.8105	Intermediate Similarity	NPC105127
0.8105	Intermediate Similarity	NPC84911
0.8077	Intermediate Similarity	NPC190296
0.8075	Intermediate Similarity	NPC476297
0.8061	Intermediate Similarity	NPC280864
0.8061	Intermediate Similarity	NPC17751
0.8061	Intermediate Similarity	NPC274229
0.8039	Intermediate Similarity	NPC261195
0.8039	Intermediate Similarity	NPC29886
0.8038	Intermediate Similarity	NPC288838
0.8024	Intermediate Similarity	NPC91895
0.8	Intermediate Similarity	NPC73767
0.8	Intermediate Similarity	NPC110126
0.8	Intermediate Similarity	NPC40070
0.7988	Intermediate Similarity	NPC471579
0.7975	Intermediate Similarity	NPC314372
0.7975	Intermediate Similarity	NPC159856
0.7949	Intermediate Similarity	NPC469767
0.7949	Intermediate Similarity	NPC469768
0.7949	Intermediate Similarity	NPC469779
0.7949	Intermediate Similarity	NPC469784
0.7949	Intermediate Similarity	NPC469780
0.7949	Intermediate Similarity	NPC469783
0.7949	Intermediate Similarity	NPC469761
0.7949	Intermediate Similarity	NPC279081
0.7941	Intermediate Similarity	NPC280852
0.7927	Intermediate Similarity	NPC477591
0.7922	Intermediate Similarity	NPC325252
0.7917	Intermediate Similarity	NPC97343
0.7904	Intermediate Similarity	NPC56233
0.7898	Intermediate Similarity	NPC469766
0.7895	Intermediate Similarity	NPC82295
0.7888	Intermediate Similarity	NPC53947
0.7875	Intermediate Similarity	NPC471957
0.7871	Intermediate Similarity	NPC314102
0.7871	Intermediate Similarity	NPC251722
0.787	Intermediate Similarity	NPC82331
0.7857	Intermediate Similarity	NPC198988
0.784	Intermediate Similarity	NPC470233
0.7838	Intermediate Similarity	NPC46358
0.7836	Intermediate Similarity	NPC474958
0.7834	Intermediate Similarity	NPC230002
0.7834	Intermediate Similarity	NPC284635
0.7818	Intermediate Similarity	NPC135141
0.7818	Intermediate Similarity	NPC92796
0.7805	Intermediate Similarity	NPC51054
0.7803	Intermediate Similarity	NPC24864
0.7798	Intermediate Similarity	NPC49217
0.7778	Intermediate Similarity	NPC105818
0.7778	Intermediate Similarity	NPC24678
0.7771	Intermediate Similarity	NPC44773
0.7771	Intermediate Similarity	NPC279918
0.7771	Intermediate Similarity	NPC215584
0.7771	Intermediate Similarity	NPC88097
0.7758	Intermediate Similarity	NPC216643
0.7751	Intermediate Similarity	NPC63751
0.775	Intermediate Similarity	NPC285731
0.7746	Intermediate Similarity	NPC12649
0.7736	Intermediate Similarity	NPC20144
0.773	Intermediate Similarity	NPC216713
0.7725	Intermediate Similarity	NPC282231
0.7714	Intermediate Similarity	NPC48938
0.7712	Intermediate Similarity	NPC22079
0.7711	Intermediate Similarity	NPC56765
0.7711	Intermediate Similarity	NPC318065
0.7711	Intermediate Similarity	NPC206819
0.7707	Intermediate Similarity	NPC169433
0.7702	Intermediate Similarity	NPC478186
0.7688	Intermediate Similarity	NPC240088
0.7688	Intermediate Similarity	NPC59269
0.7688	Intermediate Similarity	NPC473380
0.7683	Intermediate Similarity	NPC469760
0.7683	Intermediate Similarity	NPC469763
0.7683	Intermediate Similarity	NPC25008
0.7683	Intermediate Similarity	NPC259644
0.7683	Intermediate Similarity	NPC469786
0.7683	Intermediate Similarity	NPC73952
0.7683	Intermediate Similarity	NPC469765
0.7674	Intermediate Similarity	NPC280297
0.7657	Intermediate Similarity	NPC191415
0.7643	Intermediate Similarity	NPC150259
0.7636	Intermediate Similarity	NPC70922
0.7636	Intermediate Similarity	NPC80597
0.7636	Intermediate Similarity	NPC75540
0.7636	Intermediate Similarity	NPC212376
0.7636	Intermediate Similarity	NPC211572
0.7627	Intermediate Similarity	NPC15102
0.7614	Intermediate Similarity	NPC102755
0.7605	Intermediate Similarity	NPC475990
0.7602	Intermediate Similarity	NPC194411
0.759	Intermediate Similarity	NPC469785
0.7588	Intermediate Similarity	NPC474561
0.7588	Intermediate Similarity	NPC49954
0.7588	Intermediate Similarity	NPC54988
0.7584	Intermediate Similarity	NPC62749
0.758	Intermediate Similarity	NPC218268
0.7576	Intermediate Similarity	NPC200214
0.7576	Intermediate Similarity	NPC138842
0.7576	Intermediate Similarity	NPC232798
0.7574	Intermediate Similarity	NPC247987
0.7571	Intermediate Similarity	NPC284678
0.7569	Intermediate Similarity	NPC324149
0.755	Intermediate Similarity	NPC27740
0.7545	Intermediate Similarity	NPC286427
0.7545	Intermediate Similarity	NPC469762
0.7543	Intermediate Similarity	NPC265710
0.7531	Intermediate Similarity	NPC470440
0.7531	Intermediate Similarity	NPC86288
0.7528	Intermediate Similarity	NPC99939
0.7528	Intermediate Similarity	NPC308931
0.7515	Intermediate Similarity	NPC470823
0.75	Intermediate Similarity	NPC91958
0.75	Intermediate Similarity	NPC16659
0.75	Intermediate Similarity	NPC41257
0.7484	Intermediate Similarity	NPC282398
0.7472	Intermediate Similarity	NPC467063
0.7471	Intermediate Similarity	NPC90723
0.7471	Intermediate Similarity	NPC194640
0.7471	Intermediate Similarity	NPC37423
0.7471	Intermediate Similarity	NPC275305
0.747	Intermediate Similarity	NPC141926
0.7459	Intermediate Similarity	NPC265576
0.7459	Intermediate Similarity	NPC231536
0.7457	Intermediate Similarity	NPC470498
0.7456	Intermediate Similarity	NPC131718
0.7451	Intermediate Similarity	NPC250361
0.7443	Intermediate Similarity	NPC11126
0.7432	Intermediate Similarity	NPC326422
0.7425	Intermediate Similarity	NPC34844
0.7396	Intermediate Similarity	NPC221786
0.7396	Intermediate Similarity	NPC230869
0.7396	Intermediate Similarity	NPC474880
0.7391	Intermediate Similarity	NPC59084
0.7391	Intermediate Similarity	NPC2949
0.7386	Intermediate Similarity	NPC146373
0.7386	Intermediate Similarity	NPC245244
0.7386	Intermediate Similarity	NPC68354
0.7386	Intermediate Similarity	NPC166424
0.7384	Intermediate Similarity	NPC160105
0.7383	Intermediate Similarity	NPC162689
0.7383	Intermediate Similarity	NPC54102
0.7382	Intermediate Similarity	NPC116555
0.7377	Intermediate Similarity	NPC477166
0.7377	Intermediate Similarity	NPC477167
0.7377	Intermediate Similarity	NPC473342
0.7377	Intermediate Similarity	NPC304187
0.7374	Intermediate Similarity	NPC165495
0.7371	Intermediate Similarity	NPC297034
0.7368	Intermediate Similarity	NPC290094
0.7368	Intermediate Similarity	NPC311276
0.7368	Intermediate Similarity	NPC475288
0.7355	Intermediate Similarity	NPC473762
0.7355	Intermediate Similarity	NPC89490
0.7353	Intermediate Similarity	NPC229173
0.7346	Intermediate Similarity	NPC63157
0.7346	Intermediate Similarity	NPC473868
0.7345	Intermediate Similarity	NPC176199
0.7345	Intermediate Similarity	NPC215795
0.7337	Intermediate Similarity	NPC129721
0.7329	Intermediate Similarity	NPC104483
0.7325	Intermediate Similarity	NPC256893
0.7317	Intermediate Similarity	NPC469525
0.7314	Intermediate Similarity	NPC477611
0.7308	Intermediate Similarity	NPC475105
0.7308	Intermediate Similarity	NPC475090
0.7308	Intermediate Similarity	NPC329896
0.7308	Intermediate Similarity	NPC473587
0.7288	Intermediate Similarity	NPC248454
0.7278	Intermediate Similarity	NPC473930
0.7278	Intermediate Similarity	NPC228835
0.7273	Intermediate Similarity	NPC316069
0.7267	Intermediate Similarity	NPC102423

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC225018 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	348
0.1-0.2	933
0.2-0.3	1114
0.3-0.4	1917
0.4-0.5	2060
0.5-0.6	1619
0.6-0.7	904
0.7-0.8	257
0.8-0.85	9
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.828	Intermediate Similarity	NPD4374	Clinical (unspecified phase)
0.8247	Intermediate Similarity	NPD1722	Approved
0.8158	Intermediate Similarity	NPD198	Clinical (unspecified phase)
0.8095	Intermediate Similarity	NPD4128	Approved
0.8072	Intermediate Similarity	NPD2390	Clinical (unspecified phase)
0.8059	Intermediate Similarity	NPD3341	Clinical (unspecified phase)
0.8012	Intermediate Similarity	NPD2837	Discontinued
0.8	Intermediate Similarity	NPD4181	Approved
0.8	Intermediate Similarity	NPD786	Approved
0.7965	Intermediate Similarity	NPD1895	Discontinued
0.7965	Intermediate Similarity	NPD4649	Clinical (unspecified phase)
0.7962	Intermediate Similarity	NPD2007	Clinical (unspecified phase)
0.7962	Intermediate Similarity	NPD4637	Clinical (unspecified phase)
0.7947	Intermediate Similarity	NPD715	Phase 3
0.7937	Intermediate Similarity	NPD3100	Discontinued
0.7917	Intermediate Similarity	NPD2875	Clinical (unspecified phase)
0.7875	Intermediate Similarity	NPD4547	Phase 3
0.787	Intermediate Similarity	NPD1567	Clinical (unspecified phase)
0.7853	Intermediate Similarity	NPD975	Approved
0.7853	Intermediate Similarity	NPD976	Approved
0.7853	Intermediate Similarity	NPD977	Approved
0.7799	Intermediate Similarity	NPD1918	Clinical (unspecified phase)
0.7784	Intermediate Similarity	NPD3378	Clinical (unspecified phase)
0.7784	Intermediate Similarity	NPD4902	Discontinued
0.7765	Intermediate Similarity	NPD4615	Phase 2
0.7751	Intermediate Similarity	NPD4779	Clinical (unspecified phase)
0.7751	Intermediate Similarity	NPD2333	Discontinued
0.7748	Intermediate Similarity	NPD992	Clinical (unspecified phase)
0.7748	Intermediate Similarity	NPD991	Phase 2
0.7738	Intermediate Similarity	NPD1313	Approved
0.7736	Intermediate Similarity	NPD2006	Phase 2
0.7725	Intermediate Similarity	NPD1853	Clinical (unspecified phase)
0.7716	Intermediate Similarity	NPD2430	Phase 2
0.7702	Intermediate Similarity	NPD1683	Approved
0.7701	Intermediate Similarity	NPD6277	Clinical (unspecified phase)
0.7688	Intermediate Similarity	NPD7111	Discontinued
0.7684	Intermediate Similarity	NPD706	Phase 1
0.7679	Intermediate Similarity	NPD3323	Discontinued
0.7677	Intermediate Similarity	NPD3385	Approved
0.7654	Intermediate Similarity	NPD1661	Suspended
0.7647	Intermediate Similarity	NPD5069	Clinical (unspecified phase)
0.7644	Intermediate Similarity	NPD2930	Clinical (unspecified phase)
0.7632	Intermediate Similarity	NPD1598	Discontinued
0.7625	Intermediate Similarity	NPD4047	Discontinued
0.7624	Intermediate Similarity	NPD3485	Clinical (unspecified phase)
0.7597	Intermediate Similarity	NPD3476	Approved
0.7597	Intermediate Similarity	NPD3475	Approved
0.7596	Intermediate Similarity	NPD3830	Phase 1
0.759	Intermediate Similarity	NPD2748	Clinical (unspecified phase)
0.759	Intermediate Similarity	NPD2927	Phase 3
0.7572	Intermediate Similarity	NPD5065	Approved
0.7561	Intermediate Similarity	NPD2172	Phase 1
0.7558	Intermediate Similarity	NPD6828	Phase 2
0.7558	Intermediate Similarity	NPD6827	Clinical (unspecified phase)
0.7554	Intermediate Similarity	NPD6469	Phase 3
0.7554	Intermediate Similarity	NPD6468	Clinical (unspecified phase)
0.7545	Intermediate Similarity	NPD1192	Clinical (unspecified phase)
0.7532	Intermediate Similarity	NPD1262	Discovery
0.7529	Intermediate Similarity	NPD509	Phase 3
0.7516	Intermediate Similarity	NPD2118	Approved
0.7516	Intermediate Similarity	NPD2119	Approved
0.7515	Intermediate Similarity	NPD1015	Phase 2
0.7515	Intermediate Similarity	NPD1016	Phase 2
0.7515	Intermediate Similarity	NPD2385	Clinical (unspecified phase)
0.7514	Intermediate Similarity	NPD966	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD4184	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD5418	Discontinued
0.75	Intermediate Similarity	NPD5436	Phase 1
0.7486	Intermediate Similarity	NPD6721	Phase 1
0.7486	Intermediate Similarity	NPD1272	Clinical (unspecified phase)
0.7485	Intermediate Similarity	NPD2150	Discontinued
0.7472	Intermediate Similarity	NPD5892	Approved
0.747	Intermediate Similarity	NPD1917	Discontinued
0.7455	Intermediate Similarity	NPD4463	Approved
0.7455	Intermediate Similarity	NPD4462	Approved
0.7446	Intermediate Similarity	NPD6278	Clinical (unspecified phase)
0.7444	Intermediate Similarity	NPD7394	Phase 2
0.7442	Intermediate Similarity	NPD2641	Approved
0.7442	Intermediate Similarity	NPD2640	Approved
0.7436	Intermediate Similarity	NPD803	Phase 1
0.743	Intermediate Similarity	NPD6610	Clinical (unspecified phase)
0.7429	Intermediate Similarity	NPD2751	Phase 1
0.7429	Intermediate Similarity	NPD2406	Clinical (unspecified phase)
0.7427	Intermediate Similarity	NPD1333	Phase 3
0.7427	Intermediate Similarity	NPD1002	Clinical (unspecified phase)
0.7401	Intermediate Similarity	NPD6595	Phase 3
0.7401	Intermediate Similarity	NPD1873	Clinical (unspecified phase)
0.7386	Intermediate Similarity	NPD3506	Approved
0.7386	Intermediate Similarity	NPD3505	Approved
0.7384	Intermediate Similarity	NPD2478	Clinical (unspecified phase)
0.7384	Intermediate Similarity	NPD1215	Discontinued
0.7384	Intermediate Similarity	NPD1248	Discontinued
0.7378	Intermediate Similarity	NPD7469	Discontinued
0.7363	Intermediate Similarity	NPD5145	Clinical (unspecified phase)
0.736	Intermediate Similarity	NPD5806	Clinical (unspecified phase)
0.736	Intermediate Similarity	NPD1708	Approved
0.736	Intermediate Similarity	NPD1707	Approved
0.7356	Intermediate Similarity	NPD3610	Approved
0.7356	Intermediate Similarity	NPD3609	Approved
0.7353	Intermediate Similarity	NPD1403	Approved
0.7353	Intermediate Similarity	NPD1404	Approved
0.7348	Intermediate Similarity	NPD3486	Clinical (unspecified phase)
0.7348	Intermediate Similarity	NPD3961	Discontinued
0.7345	Intermediate Similarity	NPD4076	Approved
0.7345	Intermediate Similarity	NPD4079	Approved
0.7345	Intermediate Similarity	NPD40	Phase 2
0.7345	Intermediate Similarity	NPD5730	Phase 2
0.7342	Intermediate Similarity	NPD4028	Approved
0.7342	Intermediate Similarity	NPD4029	Approved
0.7342	Intermediate Similarity	NPD3942	Approved
0.7342	Intermediate Similarity	NPD3944	Approved
0.7342	Intermediate Similarity	NPD4030	Approved
0.7338	Intermediate Similarity	NPD9583	Approved
0.733	Intermediate Similarity	NPD4075	Phase 2
0.7326	Intermediate Similarity	NPD2720	Phase 1
0.7326	Intermediate Similarity	NPD2719	Clinical (unspecified phase)
0.7318	Intermediate Similarity	NPD2391	Clinical (unspecified phase)
0.7318	Intermediate Similarity	NPD1332	Clinical (unspecified phase)
0.7312	Intermediate Similarity	NPD45	Approved
0.7312	Intermediate Similarity	NPD5462	Discontinued
0.7312	Intermediate Similarity	NPD6554	Approved
0.7312	Intermediate Similarity	NPD2880	Discontinued
0.7308	Intermediate Similarity	NPD3654	Approved
0.7303	Intermediate Similarity	NPD702	Clinical (unspecified phase)
0.7299	Intermediate Similarity	NPD4024	Phase 3
0.7293	Intermediate Similarity	NPD2793	Discontinued
0.7293	Intermediate Similarity	NPD7026	Phase 2
0.7288	Intermediate Similarity	NPD6203	Clinical (unspecified phase)
0.7284	Intermediate Similarity	NPD3943	Clinical (unspecified phase)
0.7284	Intermediate Similarity	NPD1395	Clinical (unspecified phase)
0.7283	Intermediate Similarity	NPD6794	Approved
0.7278	Intermediate Similarity	NPD473	Clinical (unspecified phase)
0.7278	Intermediate Similarity	NPD2580	Discontinued
0.7263	Intermediate Similarity	NPD4891	Phase 2
0.7262	Intermediate Similarity	NPD2012	Clinical (unspecified phase)
0.7258	Intermediate Similarity	NPD2960	Clinical (unspecified phase)
0.725	Intermediate Similarity	NPD1253	Approved
0.725	Intermediate Similarity	NPD1255	Approved
0.725	Intermediate Similarity	NPD1254	Approved
0.725	Intermediate Similarity	NPD1256	Approved
0.7249	Intermediate Similarity	NPD4318	Clinical (unspecified phase)
0.7241	Intermediate Similarity	NPD4638	Approved
0.7241	Intermediate Similarity	NPD4640	Approved
0.7241	Intermediate Similarity	NPD4639	Approved
0.7238	Intermediate Similarity	NPD4298	Clinical (unspecified phase)
0.7237	Intermediate Similarity	NPD268	Approved
0.7237	Intermediate Similarity	NPD271	Approved
0.7237	Intermediate Similarity	NPD270	Clinical (unspecified phase)
0.7237	Intermediate Similarity	NPD9598	Discontinued
0.7235	Intermediate Similarity	NPD2865	Clinical (unspecified phase)
0.7232	Intermediate Similarity	NPD3348	Phase 2
0.7231	Intermediate Similarity	NPD8458	Clinical (unspecified phase)
0.7228	Intermediate Similarity	NPD3419	Clinical (unspecified phase)
0.7222	Intermediate Similarity	NPD5728	Clinical (unspecified phase)
0.7222	Intermediate Similarity	NPD768	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD6285	Phase 2
0.7219	Intermediate Similarity	NPD2165	Phase 1
0.7215	Intermediate Similarity	NPD809	Discontinued
0.7209	Intermediate Similarity	NPD8026	Phase 1
0.7209	Intermediate Similarity	NPD6771	Discontinued
0.7209	Intermediate Similarity	NPD5315	Discontinued
0.7208	Intermediate Similarity	NPD9357	Approved
0.7207	Intermediate Similarity	NPD5962	Phase 2
0.7204	Intermediate Similarity	NPD7618	Phase 3
0.7204	Intermediate Similarity	NPD7619	Phase 3
0.7202	Intermediate Similarity	NPD1257	Approved
0.7198	Intermediate Similarity	NPD5820	Clinical (unspecified phase)
0.7197	Intermediate Similarity	NPD947	Approved
0.7194	Intermediate Similarity	NPD8488	Clinical (unspecified phase)
0.7188	Intermediate Similarity	NPD4023	Clinical (unspecified phase)
0.7184	Intermediate Similarity	NPD2639	Approved
0.7184	Intermediate Similarity	NPD2642	Approved
0.7182	Intermediate Similarity	NPD4957	Phase 2
0.7182	Intermediate Similarity	NPD6178	Phase 3
0.7176	Intermediate Similarity	NPD3112	Approved
0.7176	Intermediate Similarity	NPD3114	Approved
0.7176	Intermediate Similarity	NPD3115	Approved
0.7176	Intermediate Similarity	NPD3113	Approved
0.7174	Intermediate Similarity	NPD2818	Discontinued
0.7173	Intermediate Similarity	NPD2364	Suspended
0.7166	Intermediate Similarity	NPD7023	Clinical (unspecified phase)
0.7159	Intermediate Similarity	NPD5934	Clinical (unspecified phase)
0.7158	Intermediate Similarity	NPD2310	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD5254	Discontinued
0.7151	Intermediate Similarity	NPD1893	Phase 2
0.7151	Intermediate Similarity	NPD1892	Phase 2
0.7151	Intermediate Similarity	NPD6454	Clinical (unspecified phase)
0.7151	Intermediate Similarity	NPD1327	Discontinued
0.7143	Intermediate Similarity	NPD2868	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD2185	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD490	Clinical (unspecified phase)
0.7135	Intermediate Similarity	NPD4326	Phase 2
0.7128	Intermediate Similarity	NPD6664	Approved
0.7126	Intermediate Similarity	NPD4550	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD3889	Approved
0.7126	Intermediate Similarity	NPD4702	Approved
0.7126	Intermediate Similarity	NPD5744	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD4703	Approved
0.712	Intermediate Similarity	NPD3015	Discontinued
0.7117	Intermediate Similarity	NPD174	Discontinued

Structure

NPC225018 OpenBabel07101719152D 21 24 0 0 0 0 0 0 0 0999 V2000 4.9235 -0.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5168 0.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3357 -0.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5223 0.8917 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 -0.8660 -1.5000 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 -1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3412 -0.8309 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 2.9345 0.0827 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 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 N 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 1.9400 -0.0219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2708 0.7213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 9 2 0 0 0 0 4 12 2 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 14 2 0 0 0 0 11 13 1 0 0 0 0 11 19 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 20 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 20 21 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	11687726
ChEMBL	CHEMBL481059
ZINC

Physicochemical Properties

Molecular Weight:	277.10
ALogP:	-1.317
MLogP:	2.45
XLogP:	1.943
# Rotatable Bonds:	2
Polar Surface Area:	86.29
# H-Bond Aceptor:	4
# H-Bond Donor:	3
# Rings:	4
# Heavy Atoms:	21

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