NPASS Natural Product

Natural Product: NPC40389

Natural Product ID:	NPC40389
Common Name:	N-Allylnorgalanthamine
IUPAC Name:
Synonyms:	N-Allylnorgalanthamine
Molecular Formula:	C19H23NO3
Standard InCHIKey:	BQESVZIPHFRYNG-QOKNQOGYSA-N
Standard InCHI:	InChI=1S/C19H23NO3/c1-3-9-20-10-8-19-7-6-14(21)11-16(19)23-18-15(22-2)5-4-13(12-20)17(18)19/h3-7,14,16,21H,1,8-12H2,2H3/t14-,16-,19-/m0/s1
Canonical SMILES:	C=CCN1CC[C@@]23c4c(C1)ccc(c4O[C@H]3C[C@H](C=C2)O)OC
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
NPO25694	Leucojum aestivum	Species	Amaryllidaceae	Eukaryota				PMID[18356045]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Individual Protein	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT66	Individual Protein	Acetylcholinesterase	Electrophorus electricus	IC50	=	180	nM	18077425

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 NPC40389 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	182
0.1-0.2	1044
0.2-0.3	2591
0.3-0.4	8485
0.4-0.5	4613
0.5-0.6	7603
0.6-0.7	5288
0.7-0.8	1014
0.8-0.85	55
0.85-0.9	6
0.9-0.95	0
0.95-1	8

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC148014
1.0	High Similarity	NPC65490
1.0	High Similarity	NPC315707
1.0	High Similarity	NPC78359
0.9733	High Similarity	NPC18402
0.9732	High Similarity	NPC129603
0.9605	High Similarity	NPC293871
0.9605	High Similarity	NPC124433
0.8812	High Similarity	NPC284842
0.8634	High Similarity	NPC124657
0.8544	High Similarity	NPC147091
0.8544	High Similarity	NPC323443
0.8544	High Similarity	NPC180756
0.8519	High Similarity	NPC476002
0.8462	Intermediate Similarity	NPC274026
0.8438	Intermediate Similarity	NPC92191
0.8438	Intermediate Similarity	NPC59028
0.8415	Intermediate Similarity	NPC83198
0.8415	Intermediate Similarity	NPC204908
0.8385	Intermediate Similarity	NPC249274
0.8313	Intermediate Similarity	NPC477640
0.8313	Intermediate Similarity	NPC225597
0.8313	Intermediate Similarity	NPC470739
0.8303	Intermediate Similarity	NPC82533
0.8303	Intermediate Similarity	NPC266176
0.8303	Intermediate Similarity	NPC290759
0.8303	Intermediate Similarity	NPC158148
0.8303	Intermediate Similarity	NPC475686
0.8303	Intermediate Similarity	NPC58766
0.8284	Intermediate Similarity	NPC244554
0.8272	Intermediate Similarity	NPC97072
0.8272	Intermediate Similarity	NPC215829
0.8272	Intermediate Similarity	NPC205167
0.8269	Intermediate Similarity	NPC476151
0.8263	Intermediate Similarity	NPC152680
0.8263	Intermediate Similarity	NPC232386
0.8263	Intermediate Similarity	NPC190783
0.8253	Intermediate Similarity	NPC474475
0.8239	Intermediate Similarity	NPC133011
0.8239	Intermediate Similarity	NPC82285
0.8214	Intermediate Similarity	NPC49353
0.8166	Intermediate Similarity	NPC474470
0.8165	Intermediate Similarity	NPC103379
0.8165	Intermediate Similarity	NPC477565
0.8155	Intermediate Similarity	NPC2314
0.8144	Intermediate Similarity	NPC75958
0.8141	Intermediate Similarity	NPC185838
0.8141	Intermediate Similarity	NPC130926
0.8133	Intermediate Similarity	NPC100566
0.8133	Intermediate Similarity	NPC150879
0.8092	Intermediate Similarity	NPC301050
0.8092	Intermediate Similarity	NPC131204
0.8075	Intermediate Similarity	NPC475557
0.8061	Intermediate Similarity	NPC320104
0.8054	Intermediate Similarity	NPC160193
0.8049	Intermediate Similarity	NPC4304
0.8038	Intermediate Similarity	NPC179825
0.8038	Intermediate Similarity	NPC191376
0.8038	Intermediate Similarity	NPC321505
0.8036	Intermediate Similarity	NPC329911
0.8036	Intermediate Similarity	NPC311991
0.8025	Intermediate Similarity	NPC78733
0.8024	Intermediate Similarity	NPC181653
0.8024	Intermediate Similarity	NPC190332
0.8024	Intermediate Similarity	NPC252960
0.8023	Intermediate Similarity	NPC305847
0.8012	Intermediate Similarity	NPC15919
0.8	Intermediate Similarity	NPC187678
0.8	Intermediate Similarity	NPC60186
0.7989	Intermediate Similarity	NPC9867
0.7988	Intermediate Similarity	NPC476331
0.7987	Intermediate Similarity	NPC135538
0.7987	Intermediate Similarity	NPC37144
0.7987	Intermediate Similarity	NPC428
0.7987	Intermediate Similarity	NPC24233
0.7987	Intermediate Similarity	NPC246587
0.7987	Intermediate Similarity	NPC476571
0.7987	Intermediate Similarity	NPC59907
0.7987	Intermediate Similarity	NPC147390
0.7977	Intermediate Similarity	NPC302449
0.7976	Intermediate Similarity	NPC160570
0.7975	Intermediate Similarity	NPC473934
0.7965	Intermediate Similarity	NPC126284
0.7964	Intermediate Similarity	NPC264850
0.7964	Intermediate Similarity	NPC13916
0.7953	Intermediate Similarity	NPC237044
0.7952	Intermediate Similarity	NPC233650
0.7952	Intermediate Similarity	NPC218614
0.7935	Intermediate Similarity	NPC314682
0.7919	Intermediate Similarity	NPC172403
0.7914	Intermediate Similarity	NPC184026
0.7914	Intermediate Similarity	NPC2413
0.7914	Intermediate Similarity	NPC193949
0.7914	Intermediate Similarity	NPC127674
0.7914	Intermediate Similarity	NPC278799
0.7914	Intermediate Similarity	NPC204828
0.7914	Intermediate Similarity	NPC189266
0.7914	Intermediate Similarity	NPC276588
0.7914	Intermediate Similarity	NPC54379
0.7914	Intermediate Similarity	NPC249797
0.7914	Intermediate Similarity	NPC5238
0.7914	Intermediate Similarity	NPC39701
0.7914	Intermediate Similarity	NPC469817
0.7914	Intermediate Similarity	NPC207757
0.7914	Intermediate Similarity	NPC172765
0.7914	Intermediate Similarity	NPC110416
0.7914	Intermediate Similarity	NPC295691
0.7907	Intermediate Similarity	NPC118633
0.7907	Intermediate Similarity	NPC474325
0.7907	Intermediate Similarity	NPC294790
0.7907	Intermediate Similarity	NPC148693
0.7904	Intermediate Similarity	NPC247972
0.7904	Intermediate Similarity	NPC134858
0.7904	Intermediate Similarity	NPC24465
0.7901	Intermediate Similarity	NPC148898
0.7895	Intermediate Similarity	NPC304675
0.7885	Intermediate Similarity	NPC328750
0.7885	Intermediate Similarity	NPC213206
0.7885	Intermediate Similarity	NPC188163
0.7885	Intermediate Similarity	NPC474915
0.7882	Intermediate Similarity	NPC65403
0.7874	Intermediate Similarity	NPC248642
0.787	Intermediate Similarity	NPC470324
0.7866	Intermediate Similarity	NPC37205
0.7866	Intermediate Similarity	NPC160931
0.7861	Intermediate Similarity	NPC474745
0.7861	Intermediate Similarity	NPC99179
0.7857	Intermediate Similarity	NPC7018
0.7853	Intermediate Similarity	NPC206900
0.7853	Intermediate Similarity	NPC477564
0.7853	Intermediate Similarity	NPC2295
0.7849	Intermediate Similarity	NPC241704
0.7831	Intermediate Similarity	NPC165797
0.7829	Intermediate Similarity	NPC474746
0.7829	Intermediate Similarity	NPC475981
0.7829	Intermediate Similarity	NPC156576
0.7826	Intermediate Similarity	NPC207824
0.7826	Intermediate Similarity	NPC60538
0.7818	Intermediate Similarity	NPC475326
0.7816	Intermediate Similarity	NPC286119
0.7812	Intermediate Similarity	NPC16107
0.7812	Intermediate Similarity	NPC210437
0.7812	Intermediate Similarity	NPC476144
0.7812	Intermediate Similarity	NPC51957
0.7812	Intermediate Similarity	NPC106295
0.7811	Intermediate Similarity	NPC210140
0.7811	Intermediate Similarity	NPC298186
0.7811	Intermediate Similarity	NPC306555
0.7811	Intermediate Similarity	NPC474931
0.7811	Intermediate Similarity	NPC12053
0.7811	Intermediate Similarity	NPC145832
0.7811	Intermediate Similarity	NPC81218
0.7811	Intermediate Similarity	NPC158376
0.7811	Intermediate Similarity	NPC117188
0.7811	Intermediate Similarity	NPC205421
0.7811	Intermediate Similarity	NPC301189
0.7805	Intermediate Similarity	NPC244112
0.7798	Intermediate Similarity	NPC169743
0.7798	Intermediate Similarity	NPC196447
0.7798	Intermediate Similarity	NPC96603
0.7798	Intermediate Similarity	NPC136508
0.7798	Intermediate Similarity	NPC78222
0.7798	Intermediate Similarity	NPC212794
0.7798	Intermediate Similarity	NPC238530
0.7798	Intermediate Similarity	NPC13504
0.7798	Intermediate Similarity	NPC232514
0.7798	Intermediate Similarity	NPC276944
0.7798	Intermediate Similarity	NPC76116
0.7798	Intermediate Similarity	NPC477563
0.7798	Intermediate Similarity	NPC306843
0.7798	Intermediate Similarity	NPC253043
0.7778	Intermediate Similarity	NPC151895
0.7778	Intermediate Similarity	NPC220858
0.7778	Intermediate Similarity	NPC18842
0.7778	Intermediate Similarity	NPC192768
0.7778	Intermediate Similarity	NPC88249
0.7778	Intermediate Similarity	NPC97221
0.7771	Intermediate Similarity	NPC223690
0.7771	Intermediate Similarity	NPC239824
0.7771	Intermediate Similarity	NPC181796
0.7771	Intermediate Similarity	NPC290005
0.7771	Intermediate Similarity	NPC217748
0.7771	Intermediate Similarity	NPC258657
0.7771	Intermediate Similarity	NPC290582
0.7771	Intermediate Similarity	NPC222661
0.7771	Intermediate Similarity	NPC328155
0.7771	Intermediate Similarity	NPC279228
0.7771	Intermediate Similarity	NPC229373
0.7771	Intermediate Similarity	NPC251735
0.7771	Intermediate Similarity	NPC15414
0.7771	Intermediate Similarity	NPC42663
0.7771	Intermediate Similarity	NPC185639
0.7771	Intermediate Similarity	NPC271013
0.7771	Intermediate Similarity	NPC104196
0.7771	Intermediate Similarity	NPC54654
0.7771	Intermediate Similarity	NPC90998
0.7771	Intermediate Similarity	NPC118804
0.7771	Intermediate Similarity	NPC182052
0.7771	Intermediate Similarity	NPC7715
0.7771	Intermediate Similarity	NPC49075

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC40389 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	152
0.1-0.2	675
0.2-0.3	872
0.3-0.4	2164
0.4-0.5	2603
0.5-0.6	1669
0.6-0.7	821
0.7-0.8	188
0.8-0.85	12
0.85-0.9	2
0.9-0.95	0
0.95-1	3

Similarity Score	Similarity Level	Drug ID	Developmental Stage
1.0	High Similarity	NPD2563	Approved
1.0	High Similarity	NPD2560	Approved
0.9608	High Similarity	NPD6071	Discontinued
0.858	High Similarity	NPD2969	Approved
0.858	High Similarity	NPD2970	Approved
0.8415	Intermediate Similarity	NPD27	Approved
0.8415	Intermediate Similarity	NPD2489	Approved
0.8405	Intermediate Similarity	NPD3051	Approved
0.8272	Intermediate Similarity	NPD7833	Phase 2
0.8272	Intermediate Similarity	NPD7831	Phase 2
0.8272	Intermediate Similarity	NPD7832	Clinical (unspecified phase)
0.8187	Intermediate Similarity	NPD4772	Phase 2
0.8187	Intermediate Similarity	NPD4773	Phase 2
0.8023	Intermediate Similarity	NPD7312	Approved
0.8023	Intermediate Similarity	NPD7313	Approved
0.8023	Intermediate Similarity	NPD7311	Approved
0.8023	Intermediate Similarity	NPD7310	Approved
0.7977	Intermediate Similarity	NPD7309	Approved
0.7976	Intermediate Similarity	NPD4481	Phase 3
0.7943	Intermediate Similarity	NPD7906	Approved
0.7919	Intermediate Similarity	NPD4578	Approved
0.7919	Intermediate Similarity	NPD4577	Approved
0.7886	Intermediate Similarity	NPD4663	Approved
0.7885	Intermediate Similarity	NPD4664	Clinical (unspecified phase)
0.787	Intermediate Similarity	NPD2898	Approved
0.7867	Intermediate Similarity	NPD5752	Clinical (unspecified phase)
0.7866	Intermediate Similarity	NPD6818	Clinical (unspecified phase)
0.7848	Intermediate Similarity	NPD5241	Discontinued
0.7834	Intermediate Similarity	NPD4237	Approved
0.7834	Intermediate Similarity	NPD4236	Phase 3
0.7812	Intermediate Similarity	NPD4584	Approved
0.7806	Intermediate Similarity	NPD6029	Clinical (unspecified phase)
0.7806	Intermediate Similarity	NPD6028	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD2238	Phase 2
0.7771	Intermediate Similarity	NPD8053	Approved
0.7771	Intermediate Similarity	NPD8054	Approved
0.7758	Intermediate Similarity	NPD5773	Approved
0.7758	Intermediate Similarity	NPD5772	Approved
0.7733	Intermediate Similarity	NPD8156	Discontinued
0.7722	Intermediate Similarity	NPD5177	Phase 3
0.7722	Intermediate Similarity	NPD3060	Approved
0.7716	Intermediate Similarity	NPD6031	Approved
0.7716	Intermediate Similarity	NPD6030	Approved
0.7716	Intermediate Similarity	NPD5976	Discontinued
0.7702	Intermediate Similarity	NPD4123	Phase 3
0.7702	Intermediate Similarity	NPD1754	Clinical (unspecified phase)
0.7674	Intermediate Similarity	NPD8252	Approved
0.7674	Intermediate Similarity	NPD8251	Approved
0.7674	Intermediate Similarity	NPD8099	Discontinued
0.7669	Intermediate Similarity	NPD3687	Approved
0.7669	Intermediate Similarity	NPD3686	Approved
0.7669	Intermediate Similarity	NPD4210	Discontinued
0.7643	Intermediate Similarity	NPD2161	Phase 2
0.7625	Intermediate Similarity	NPD5307	Clinical (unspecified phase)
0.761	Intermediate Similarity	NPD4162	Approved
0.7593	Intermediate Similarity	NPD1424	Approved
0.7582	Intermediate Similarity	NPD2669	Clinical (unspecified phase)
0.7578	Intermediate Similarity	NPD7124	Phase 2
0.7576	Intermediate Similarity	NPD4678	Approved
0.7576	Intermediate Similarity	NPD4675	Approved
0.756	Intermediate Similarity	NPD4581	Clinical (unspecified phase)
0.7556	Intermediate Similarity	NPD2488	Approved
0.7556	Intermediate Similarity	NPD2490	Approved
0.7529	Intermediate Similarity	NPD3365	Discontinued
0.7516	Intermediate Similarity	NPD6896	Approved
0.7516	Intermediate Similarity	NPD2677	Approved
0.7516	Intermediate Similarity	NPD5084	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD6895	Approved
0.7515	Intermediate Similarity	NPD7261	Clinical (unspecified phase)
0.7514	Intermediate Similarity	NPD2971	Approved
0.7514	Intermediate Similarity	NPD2968	Approved
0.7484	Intermediate Similarity	NPD1375	Discontinued
0.7484	Intermediate Similarity	NPD2674	Phase 3
0.7469	Intermediate Similarity	NPD6666	Approved
0.7469	Intermediate Similarity	NPD6667	Approved
0.7456	Intermediate Similarity	NPD6788	Approved
0.7453	Intermediate Similarity	NPD6331	Phase 2
0.7446	Intermediate Similarity	NPD2973	Approved
0.7446	Intermediate Similarity	NPD2975	Approved
0.7446	Intermediate Similarity	NPD2974	Approved
0.7439	Intermediate Similarity	NPD6090	Discontinued
0.7438	Intermediate Similarity	NPD1372	Clinical (unspecified phase)
0.7438	Intermediate Similarity	NPD7153	Discontinued
0.7425	Intermediate Similarity	NPD6072	Discontinued
0.7412	Intermediate Similarity	NPD4055	Discovery
0.741	Intermediate Similarity	NPD4017	Approved
0.7407	Intermediate Similarity	NPD3692	Discontinued
0.7405	Intermediate Similarity	NPD6111	Discontinued
0.7394	Intermediate Similarity	NPD3641	Approved
0.7394	Intermediate Similarity	NPD3640	Phase 3
0.7394	Intermediate Similarity	NPD3639	Approved
0.7381	Intermediate Similarity	NPD5720	Discontinued
0.738	Intermediate Similarity	NPD3450	Approved
0.738	Intermediate Similarity	NPD3452	Approved
0.738	Intermediate Similarity	NPD2493	Approved
0.738	Intermediate Similarity	NPD2494	Approved
0.7378	Intermediate Similarity	NPD7019	Approved
0.7378	Intermediate Similarity	NPD7020	Approved
0.7372	Intermediate Similarity	NPD4475	Approved
0.7372	Intermediate Similarity	NPD4474	Approved
0.7362	Intermediate Similarity	NPD6783	Clinical (unspecified phase)
0.734	Intermediate Similarity	NPD3057	Approved
0.7337	Intermediate Similarity	NPD2978	Approved
0.7337	Intermediate Similarity	NPD2977	Approved
0.7333	Intermediate Similarity	NPD5261	Clinical (unspecified phase)
0.7326	Intermediate Similarity	NPD4580	Approved
0.7326	Intermediate Similarity	NPD7201	Clinical (unspecified phase)
0.7315	Intermediate Similarity	NPD3445	Approved
0.7315	Intermediate Similarity	NPD3444	Approved
0.7315	Intermediate Similarity	NPD3443	Approved
0.7308	Intermediate Similarity	NPD5718	Phase 2
0.7308	Intermediate Similarity	NPD3144	Approved
0.7308	Intermediate Similarity	NPD3145	Approved
0.7297	Intermediate Similarity	NPD7667	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD5709	Phase 3
0.7267	Intermediate Similarity	NPD2029	Clinical (unspecified phase)
0.7263	Intermediate Similarity	NPD4583	Approved
0.7263	Intermediate Similarity	NPD4582	Approved
0.7249	Intermediate Similarity	NPD2972	Approved
0.7249	Intermediate Similarity	NPD3533	Approved
0.7241	Intermediate Similarity	NPD4010	Discontinued
0.7239	Intermediate Similarity	NPD6658	Clinical (unspecified phase)
0.7237	Intermediate Similarity	NPD2233	Approved
0.7237	Intermediate Similarity	NPD2230	Approved
0.7237	Intermediate Similarity	NPD2232	Approved
0.7233	Intermediate Similarity	NPD2157	Approved
0.7229	Intermediate Similarity	NPD7526	Approved
0.7229	Intermediate Similarity	NPD52	Approved
0.7229	Intermediate Similarity	NPD7527	Clinical (unspecified phase)
0.7228	Intermediate Similarity	NPD7296	Approved
0.7226	Intermediate Similarity	NPD1712	Approved
0.7225	Intermediate Similarity	NPD4666	Phase 3
0.7222	Intermediate Similarity	NPD7037	Approved
0.7222	Intermediate Similarity	NPD2170	Clinical (unspecified phase)
0.7211	Intermediate Similarity	NPD4002	Approved
0.7211	Intermediate Similarity	NPD4004	Approved
0.7202	Intermediate Similarity	NPD6523	Clinical (unspecified phase)
0.7202	Intermediate Similarity	NPD4005	Discontinued
0.7195	Intermediate Similarity	NPD5160	Discontinued
0.7186	Intermediate Similarity	NPD2122	Discontinued
0.7186	Intermediate Similarity	NPD6662	Clinical (unspecified phase)
0.7184	Intermediate Similarity	NPD6107	Approved
0.7176	Intermediate Similarity	NPD7298	Approved
0.7174	Intermediate Similarity	NPD5525	Clinical (unspecified phase)
0.7169	Intermediate Similarity	NPD4160	Clinical (unspecified phase)
0.7158	Intermediate Similarity	NPD3398	Discontinued
0.7158	Intermediate Similarity	NPD3448	Approved
0.7158	Intermediate Similarity	NPD2491	Approved
0.7152	Intermediate Similarity	NPD2667	Approved
0.7152	Intermediate Similarity	NPD2668	Approved
0.7143	Intermediate Similarity	NPD2156	Approved
0.7143	Intermediate Similarity	NPD2155	Approved
0.7143	Intermediate Similarity	NPD2154	Approved
0.7135	Intermediate Similarity	NPD4873	Discontinued
0.7134	Intermediate Similarity	NPD6748	Discontinued
0.7128	Intermediate Similarity	NPD4420	Approved
0.7126	Intermediate Similarity	NPD3647	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD2041	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD5677	Discontinued
0.7126	Intermediate Similarity	NPD2042	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD3054	Approved
0.7125	Intermediate Similarity	NPD3052	Approved
0.711	Intermediate Similarity	NPD5604	Discontinued
0.7108	Intermediate Similarity	NPD7213	Phase 3
0.7108	Intermediate Similarity	NPD7212	Phase 2
0.7108	Intermediate Similarity	NPD1774	Approved
0.7102	Intermediate Similarity	NPD6688	Approved
0.7102	Intermediate Similarity	NPD6687	Approved
0.7099	Intermediate Similarity	NPD4477	Approved
0.7099	Intermediate Similarity	NPD4476	Approved
0.7095	Intermediate Similarity	NPD1791	Approved
0.7095	Intermediate Similarity	NPD1793	Approved
0.7089	Intermediate Similarity	NPD2028	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD2200	Suspended
0.7081	Intermediate Similarity	NPD3808	Clinical (unspecified phase)
0.7072	Intermediate Similarity	NPD7549	Discontinued
0.7066	Intermediate Similarity	NPD7447	Phase 1
0.7059	Intermediate Similarity	NPD6876	Approved
0.7059	Intermediate Similarity	NPD6875	Approved
0.7055	Intermediate Similarity	NPD3656	Approved
0.7051	Intermediate Similarity	NPD6584	Phase 3
0.7051	Intermediate Similarity	NPD7905	Discontinued
0.7045	Intermediate Similarity	NPD4166	Phase 2
0.7039	Intermediate Similarity	NPD6042	Phase 2
0.7039	Intermediate Similarity	NPD1751	Approved
0.7039	Intermediate Similarity	NPD42	Phase 2
0.7037	Intermediate Similarity	NPD1753	Discontinued
0.7035	Intermediate Similarity	NPD4585	Approved
0.703	Intermediate Similarity	NPD7466	Approved
0.7025	Intermediate Similarity	NPD3027	Phase 3
0.7019	Intermediate Similarity	NPD2653	Approved
0.7018	Intermediate Similarity	NPD7110	Phase 1
0.7018	Intermediate Similarity	NPD7109	Clinical (unspecified phase)
0.7018	Intermediate Similarity	NPD5089	Approved
0.7018	Intermediate Similarity	NPD5090	Approved
0.7017	Intermediate Similarity	NPD3303	Discontinued
0.7011	Intermediate Similarity	NPD7975	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD2421	Approved
0.7006	Intermediate Similarity	NPD2420	Approved
0.7006	Intermediate Similarity	NPD6087	Phase 1

Structure

NPC40389 OpenBabel07101719242D 23 26 0 0 1 0 0 0 0 0999 V2000 1.0295 -5.6810 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 0.7455 -4.7221 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 2.6831 -0.3090 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 -0.4067 -2.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0791 -2.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4338 -3.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3972 -2.9588 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 1.7380 -2.5617 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 -1.9890 -1.8271 0.0000 C 0 0 1 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 -0.5878 -0.8090 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 0.9511 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.6180 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1498 -3.0380 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9836 -1.9316 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 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 22 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 13 1 0 0 0 0 5 15 1 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 10 20 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 17 2 0 0 0 0 14 21 1 6 0 0 0 15 18 2 0 0 0 0 15 22 1 0 0 0 0 16 19 1 6 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 23 1 0 0 0 0 19 7 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	44447598
ChEMBL	CHEMBL399515
ZINC

Physicochemical Properties

Molecular Weight:	313.17
ALogP:	0.0541
MLogP:	3.11
XLogP:	1.677
# Rotatable Bonds:	5
Polar Surface Area:	41.93
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	4
# Heavy Atoms:	23

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