NPASS Natural Product

Natural Product: NPC234772

Natural Product ID:	NPC234772
Common Name:	Alstiphyllanine G
IUPAC Name:
Synonyms:	Alstiphyllanine G
Molecular Formula:	C23H28N2O5
Standard InCHIKey:	JQJQNLIWQQKVAT-IFQABQPBSA-N
Standard InCHI:	InChI=1S/C23H28N2O5/c1-5-13-11-25-18-9-15(13)21(12-26,20(27)29-4)22-10-19(25)30-23(18,22)24(2)17-7-6-14(28-3)8-16(17)22/h5-8,15,18-19,26H,9-12H2,1-4H3/b13-5-/t15-,18-,19-,21-,22-,23-/m0/s1
Canonical SMILES:	COC(=O)[C@]1(CO)[C@H]2C[C@H]3[C@@]45[C@@]1(C[C@H](O4)N3C/C/2=C/C)c1cc(OC)ccc1N5C
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
NPO19678	Alstonia macrophylla	Species	Apocynaceae	Eukaryota	Leaves	Purwodadi Botanical Garden, Indonesia		PMID[20189404]

Biological Activity

Activity Type	# Activity
Others	2

Activity Type	# Activity
Individual Protein	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT640	Individual Protein	Sodium/glucose cotransporter 1	Homo sapiens	Inhibition	=	14	%	PubChem BioAssay data set
NPT641	Individual Protein	Sodium/glucose cotransporter 2	Homo sapiens	Inhibition	=	31.6	%	7650675

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 NPC234772 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	252
0.1-0.2	1149
0.2-0.3	2994
0.3-0.4	8181
0.4-0.5	6021
0.5-0.6	10876
0.6-0.7	1254
0.7-0.8	143
0.8-0.85	11
0.85-0.9	8
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8863	High Similarity	NPC476220
0.8863	High Similarity	NPC160113
0.8841	High Similarity	NPC231924
0.8698	High Similarity	NPC304837
0.8698	High Similarity	NPC476258
0.8645	High Similarity	NPC154922
0.8622	High Similarity	NPC90967
0.85	High Similarity	NPC120239
0.8491	Intermediate Similarity	NPC473458
0.8447	Intermediate Similarity	NPC113455
0.8402	Intermediate Similarity	NPC21425
0.8333	Intermediate Similarity	NPC288110
0.8318	Intermediate Similarity	NPC471513
0.8241	Intermediate Similarity	NPC34717
0.8214	Intermediate Similarity	NPC181928
0.8195	Intermediate Similarity	NPC195787
0.8195	Intermediate Similarity	NPC246140
0.8073	Intermediate Similarity	NPC477397
0.8048	Intermediate Similarity	NPC127996
0.7991	Intermediate Similarity	NPC222046
0.7982	Intermediate Similarity	NPC301501
0.7965	Intermediate Similarity	NPC477393
0.7953	Intermediate Similarity	NPC10653
0.7953	Intermediate Similarity	NPC318525
0.7951	Intermediate Similarity	NPC138830
0.795	Intermediate Similarity	NPC473298
0.7895	Intermediate Similarity	NPC477396
0.7885	Intermediate Similarity	NPC329932
0.7876	Intermediate Similarity	NPC477395
0.7876	Intermediate Similarity	NPC469452
0.7797	Intermediate Similarity	NPC469451
0.7788	Intermediate Similarity	NPC469450
0.7788	Intermediate Similarity	NPC1464
0.7778	Intermediate Similarity	NPC131977
0.7758	Intermediate Similarity	NPC139373
0.7752	Intermediate Similarity	NPC128476
0.7731	Intermediate Similarity	NPC195636
0.7727	Intermediate Similarity	NPC19175
0.7714	Intermediate Similarity	NPC470484
0.7714	Intermediate Similarity	NPC87714
0.7696	Intermediate Similarity	NPC77777
0.7685	Intermediate Similarity	NPC474059
0.7668	Intermediate Similarity	NPC223242
0.7647	Intermediate Similarity	NPC477394
0.7628	Intermediate Similarity	NPC159815
0.7626	Intermediate Similarity	NPC476069
0.7619	Intermediate Similarity	NPC474077
0.7613	Intermediate Similarity	NPC476436
0.7608	Intermediate Similarity	NPC67904
0.7577	Intermediate Similarity	NPC291173
0.7573	Intermediate Similarity	NPC470485
0.7559	Intermediate Similarity	NPC478075
0.7558	Intermediate Similarity	NPC189661
0.7512	Intermediate Similarity	NPC138615
0.7512	Intermediate Similarity	NPC5630
0.7512	Intermediate Similarity	NPC132874
0.7512	Intermediate Similarity	NPC218733
0.7512	Intermediate Similarity	NPC265642
0.7489	Intermediate Similarity	NPC469722
0.7488	Intermediate Similarity	NPC477160
0.7488	Intermediate Similarity	NPC471512
0.7487	Intermediate Similarity	NPC70172
0.7476	Intermediate Similarity	NPC470483
0.7465	Intermediate Similarity	NPC10732
0.7454	Intermediate Similarity	NPC269449
0.7445	Intermediate Similarity	NPC476429
0.7441	Intermediate Similarity	NPC475489
0.7427	Intermediate Similarity	NPC22689
0.7427	Intermediate Similarity	NPC105055
0.7421	Intermediate Similarity	NPC219397
0.7404	Intermediate Similarity	NPC203972
0.7391	Intermediate Similarity	NPC25401
0.7385	Intermediate Similarity	NPC119722
0.7383	Intermediate Similarity	NPC475147
0.7356	Intermediate Similarity	NPC204970
0.7354	Intermediate Similarity	NPC46259
0.7327	Intermediate Similarity	NPC475133
0.7308	Intermediate Similarity	NPC22476
0.7306	Intermediate Similarity	NPC472098
0.7286	Intermediate Similarity	NPC221687
0.7284	Intermediate Similarity	NPC151171
0.7277	Intermediate Similarity	NPC314100
0.7277	Intermediate Similarity	NPC72788
0.7277	Intermediate Similarity	NPC120671
0.7277	Intermediate Similarity	NPC127178
0.7277	Intermediate Similarity	NPC226652
0.7273	Intermediate Similarity	NPC473004
0.7265	Intermediate Similarity	NPC475609
0.7264	Intermediate Similarity	NPC100863
0.7244	Intermediate Similarity	NPC148124
0.7243	Intermediate Similarity	NPC232600
0.7217	Intermediate Similarity	NPC474192
0.7217	Intermediate Similarity	NPC475720
0.7204	Intermediate Similarity	NPC243626
0.72	Intermediate Similarity	NPC99724
0.7193	Intermediate Similarity	NPC470480
0.7183	Intermediate Similarity	NPC73020
0.7183	Intermediate Similarity	NPC215098
0.7183	Intermediate Similarity	NPC124302
0.7183	Intermediate Similarity	NPC70290
0.7183	Intermediate Similarity	NPC14622
0.7183	Intermediate Similarity	NPC46744
0.7182	Intermediate Similarity	NPC82541
0.7181	Intermediate Similarity	NPC122886
0.7176	Intermediate Similarity	NPC207971
0.7175	Intermediate Similarity	NPC126556
0.717	Intermediate Similarity	NPC97100
0.717	Intermediate Similarity	NPC473375
0.7168	Intermediate Similarity	NPC251071
0.7163	Intermediate Similarity	NPC14994
0.7157	Intermediate Similarity	NPC321211
0.7157	Intermediate Similarity	NPC99043
0.7157	Intermediate Similarity	NPC218594
0.715	Intermediate Similarity	NPC52262
0.7143	Intermediate Similarity	NPC14339
0.7143	Intermediate Similarity	NPC203628
0.7136	Intermediate Similarity	NPC66909
0.7136	Intermediate Similarity	NPC159963
0.7129	Intermediate Similarity	NPC217294
0.7123	Intermediate Similarity	NPC230313
0.7118	Intermediate Similarity	NPC248903
0.7116	Intermediate Similarity	NPC474427
0.7115	Intermediate Similarity	NPC474746
0.7115	Intermediate Similarity	NPC475981
0.711	Intermediate Similarity	NPC476500
0.7106	Intermediate Similarity	NPC475816
0.7089	Intermediate Similarity	NPC303214
0.7083	Intermediate Similarity	NPC469732
0.7075	Intermediate Similarity	NPC94499
0.7074	Intermediate Similarity	NPC26928
0.7071	Intermediate Similarity	NPC474058
0.7067	Intermediate Similarity	NPC473007
0.7066	Intermediate Similarity	NPC329982
0.7064	Intermediate Similarity	NPC268077
0.7059	Intermediate Similarity	NPC203202
0.7059	Intermediate Similarity	NPC264482
0.7056	Intermediate Similarity	NPC474432
0.7056	Intermediate Similarity	NPC475713
0.7051	Intermediate Similarity	NPC202771
0.7051	Intermediate Similarity	NPC119818
0.7051	Intermediate Similarity	NPC286135
0.7051	Intermediate Similarity	NPC2173
0.7051	Intermediate Similarity	NPC328700
0.7048	Intermediate Similarity	NPC230098
0.7044	Intermediate Similarity	NPC276993
0.7044	Intermediate Similarity	NPC210415
0.7044	Intermediate Similarity	NPC21752
0.7044	Intermediate Similarity	NPC181138
0.7044	Intermediate Similarity	NPC298851
0.7044	Intermediate Similarity	NPC293255
0.7039	Intermediate Similarity	NPC474470
0.7035	Intermediate Similarity	NPC37957
0.7019	Intermediate Similarity	NPC97584
0.7015	Intermediate Similarity	NPC472114
0.7015	Intermediate Similarity	NPC472115
0.7014	Intermediate Similarity	NPC473008
0.7013	Intermediate Similarity	NPC74216
0.7005	Intermediate Similarity	NPC254045
0.7005	Intermediate Similarity	NPC151470
0.7005	Intermediate Similarity	NPC201055
0.7005	Intermediate Similarity	NPC64576
0.7	Intermediate Similarity	NPC266994
0.6996	Remote Similarity	NPC475316
0.6996	Remote Similarity	NPC473486
0.6986	Remote Similarity	NPC322621
0.6981	Remote Similarity	NPC28510
0.698	Remote Similarity	NPC33507
0.6977	Remote Similarity	NPC161804
0.6976	Remote Similarity	NPC476441
0.6972	Remote Similarity	NPC473005
0.6971	Remote Similarity	NPC474745
0.6971	Remote Similarity	NPC98197
0.6968	Remote Similarity	NPC330683
0.6968	Remote Similarity	NPC329567
0.6967	Remote Similarity	NPC478080
0.6964	Remote Similarity	NPC473006
0.6957	Remote Similarity	NPC115588
0.6955	Remote Similarity	NPC477161
0.6955	Remote Similarity	NPC80472
0.6953	Remote Similarity	NPC470631
0.6953	Remote Similarity	NPC35390
0.6953	Remote Similarity	NPC473781
0.6952	Remote Similarity	NPC262725
0.695	Remote Similarity	NPC230942
0.695	Remote Similarity	NPC315498
0.6948	Remote Similarity	NPC226708
0.6944	Remote Similarity	NPC71124
0.6942	Remote Similarity	NPC186669
0.6937	Remote Similarity	NPC168250
0.693	Remote Similarity	NPC33256
0.6923	Remote Similarity	NPC198160
0.6923	Remote Similarity	NPC474325
0.6923	Remote Similarity	NPC212123
0.692	Remote Similarity	NPC470482
0.692	Remote Similarity	NPC470481
0.6916	Remote Similarity	NPC87560
0.6916	Remote Similarity	NPC195120
0.6914	Remote Similarity	NPC133609
0.6908	Remote Similarity	NPC6974
0.6908	Remote Similarity	NPC304675

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC234772 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	174
0.1-0.2	580
0.2-0.3	796
0.3-0.4	1620
0.4-0.5	2634
0.5-0.6	2669
0.6-0.7	663
0.7-0.8	25
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.734	Intermediate Similarity	NPD7149	Clinical (unspecified phase)
0.7277	Intermediate Similarity	NPD5600	Discontinued
0.7251	Intermediate Similarity	NPD5582	Discontinued
0.723	Intermediate Similarity	NPD6874	Approved
0.7183	Intermediate Similarity	NPD4420	Approved
0.7163	Intermediate Similarity	NPD6238	Discontinued
0.7136	Intermediate Similarity	NPD5860	Discontinued
0.7136	Intermediate Similarity	NPD2975	Approved
0.7136	Intermediate Similarity	NPD2974	Approved
0.7136	Intermediate Similarity	NPD2973	Approved
0.7123	Intermediate Similarity	NPD4082	Approved
0.7116	Intermediate Similarity	NPD4580	Approved
0.7112	Intermediate Similarity	NPD6625	Approved
0.7098	Intermediate Similarity	NPD3940	Clinical (unspecified phase)
0.708	Intermediate Similarity	NPD3437	Discontinued
0.7065	Intermediate Similarity	NPD3983	Phase 3
0.7065	Intermediate Similarity	NPD3984	Clinical (unspecified phase)
0.7056	Intermediate Similarity	NPD7238	Clinical (unspecified phase)
0.7051	Intermediate Similarity	NPD5006	Approved
0.7051	Intermediate Similarity	NPD5005	Approved
0.7005	Intermediate Similarity	NPD2493	Approved
0.7005	Intermediate Similarity	NPD2494	Approved
0.7005	Intermediate Similarity	NPD3450	Approved
0.7005	Intermediate Similarity	NPD3452	Approved
0.7004	Intermediate Similarity	NPD5433	Clinical (unspecified phase)
0.6996	Remote Similarity	NPD4492	Approved
0.6996	Remote Similarity	NPD4494	Approved
0.6987	Remote Similarity	NPD7820	Phase 3
0.6987	Remote Similarity	NPD3912	Discontinued
0.6986	Remote Similarity	NPD4582	Approved
0.6986	Remote Similarity	NPD4583	Approved
0.6968	Remote Similarity	NPD2906	Approved
0.6968	Remote Similarity	NPD2907	Approved
0.6966	Remote Similarity	NPD6723	Discontinued
0.6965	Remote Similarity	NPD4796	Discontinued
0.6957	Remote Similarity	NPD7821	Clinical (unspecified phase)
0.6955	Remote Similarity	NPD7174	Clinical (unspecified phase)
0.6951	Remote Similarity	NPD4493	Discontinued
0.695	Remote Similarity	NPD19	Approved
0.695	Remote Similarity	NPD1742	Approved
0.695	Remote Similarity	NPD1743	Approved
0.6949	Remote Similarity	NPD4846	Phase 2
0.6943	Remote Similarity	NPD6997	Phase 2
0.6942	Remote Similarity	NPD5334	Clinical (unspecified phase)
0.6941	Remote Similarity	NPD4002	Approved
0.6941	Remote Similarity	NPD4004	Approved
0.6926	Remote Similarity	NPD7186	Phase 3
0.6902	Remote Similarity	NPD8465	Approved
0.6902	Remote Similarity	NPD8466	Approved
0.6902	Remote Similarity	NPD8467	Approved
0.69	Remote Similarity	NPD7805	Phase 3
0.6897	Remote Similarity	NPD6457	Approved
0.6889	Remote Similarity	NPD4455	Discontinued
0.6875	Remote Similarity	NPD1945	Phase 1
0.6875	Remote Similarity	NPD6211	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD6293	Clinical (unspecified phase)
0.6865	Remote Similarity	NPD8364	Approved
0.6865	Remote Similarity	NPD8363	Approved
0.6864	Remote Similarity	NPD7597	Clinical (unspecified phase)
0.6856	Remote Similarity	NPD3783	Clinical (unspecified phase)
0.6852	Remote Similarity	NPD5548	Clinical (unspecified phase)
0.6849	Remote Similarity	NPD6321	Discontinued
0.6847	Remote Similarity	NPD4596	Phase 1
0.6844	Remote Similarity	NPD3888	Discontinued
0.684	Remote Similarity	NPD8103	Clinical (unspecified phase)
0.6837	Remote Similarity	NPD7262	Phase 1
0.6822	Remote Similarity	NPD6656	Clinical (unspecified phase)
0.682	Remote Similarity	NPD6621	Clinical (unspecified phase)
0.6816	Remote Similarity	NPD3472	Approved
0.6816	Remote Similarity	NPD4022	Approved
0.6812	Remote Similarity	NPD5603	Clinical (unspecified phase)
0.6812	Remote Similarity	NPD2899	Discontinued
0.6811	Remote Similarity	NPD8365	Clinical (unspecified phase)
0.6807	Remote Similarity	NPD7048	Phase 3
0.6795	Remote Similarity	NPD8426	Approved
0.6795	Remote Similarity	NPD8459	Approved
0.6795	Remote Similarity	NPD8425	Approved
0.6795	Remote Similarity	NPD8460	Approved
0.6787	Remote Similarity	NPD7708	Approved
0.6777	Remote Similarity	NPD2968	Approved
0.6777	Remote Similarity	NPD2971	Approved
0.6773	Remote Similarity	NPD3416	Discontinued
0.677	Remote Similarity	NPD7178	Clinical (unspecified phase)
0.677	Remote Similarity	NPD8428	Approved
0.677	Remote Similarity	NPD8429	Approved
0.677	Remote Similarity	NPD8427	Approved
0.6766	Remote Similarity	NPD6199	Discontinued
0.6765	Remote Similarity	NPD6037	Discontinued
0.6763	Remote Similarity	NPD5938	Phase 3
0.6757	Remote Similarity	NPD4456	Clinical (unspecified phase)
0.6756	Remote Similarity	NPD3893	Discontinued
0.6756	Remote Similarity	NPD3372	Discontinued
0.6749	Remote Similarity	NPD6533	Clinical (unspecified phase)
0.6749	Remote Similarity	NPD5488	Discontinued
0.6747	Remote Similarity	NPD7955	Approved
0.6747	Remote Similarity	NPD7956	Approved
0.6745	Remote Similarity	NPD6853	Approved
0.6745	Remote Similarity	NPD6851	Approved
0.6744	Remote Similarity	NPD2488	Approved
0.6744	Remote Similarity	NPD2490	Approved
0.6741	Remote Similarity	NPD6593	Clinical (unspecified phase)
0.6739	Remote Similarity	NPD5496	Approved
0.6732	Remote Similarity	NPD2680	Approved
0.6732	Remote Similarity	NPD2681	Approved
0.6715	Remote Similarity	NPD4481	Phase 3
0.6712	Remote Similarity	NPD7064	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD8461	Discontinued
0.6699	Remote Similarity	NPD7315	Approved
0.6698	Remote Similarity	NPD7281	Phase 3
0.6698	Remote Similarity	NPD7280	Phase 3
0.6697	Remote Similarity	NPD7667	Clinical (unspecified phase)
0.6697	Remote Similarity	NPD7566	Clinical (unspecified phase)
0.6695	Remote Similarity	NPD7278	Phase 2
0.6695	Remote Similarity	NPD7279	Phase 2
0.6683	Remote Similarity	NPD6060	Clinical (unspecified phase)
0.6683	Remote Similarity	NPD2162	Clinical (unspecified phase)
0.6683	Remote Similarity	NPD5294	Clinical (unspecified phase)
0.6682	Remote Similarity	NPD4040	Phase 1
0.668	Remote Similarity	NPD7803	Approved
0.6667	Remote Similarity	NPD5900	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD4111	Phase 1
0.6667	Remote Similarity	NPD6021	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD956	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD4665	Approved
0.6653	Remote Similarity	NPD7432	Phase 2
0.6653	Remote Similarity	NPD8463	Approved
0.6652	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.6651	Remote Similarity	NPD4419	Clinical (unspecified phase)
0.6651	Remote Similarity	NPD6608	Clinical (unspecified phase)
0.6636	Remote Similarity	NPD4668	Phase 2
0.6636	Remote Similarity	NPD5197	Approved
0.6636	Remote Similarity	NPD5071	Phase 2
0.6636	Remote Similarity	NPD5194	Approved
0.6636	Remote Similarity	NPD5196	Approved
0.6635	Remote Similarity	NPD6297	Approved
0.6635	Remote Similarity	NPD6365	Clinical (unspecified phase)
0.6635	Remote Similarity	NPD6496	Clinical (unspecified phase)
0.6627	Remote Similarity	NPD8492	Approved
0.662	Remote Similarity	NPD5928	Phase 1
0.6619	Remote Similarity	NPD5313	Approved
0.6619	Remote Similarity	NPD3050	Clinical (unspecified phase)
0.6619	Remote Similarity	NPD5312	Approved
0.6619	Remote Similarity	NPD5521	Clinical (unspecified phase)
0.6618	Remote Similarity	NPD3051	Approved
0.6618	Remote Similarity	NPD5186	Approved
0.6618	Remote Similarity	NPD5183	Approved
0.6612	Remote Similarity	NPD7560	Approved
0.6612	Remote Similarity	NPD8017	Clinical (unspecified phase)
0.6612	Remote Similarity	NPD8016	Phase 3
0.6609	Remote Similarity	NPD7907	Approved
0.6609	Remote Similarity	NPD7047	Phase 3
0.6607	Remote Similarity	NPD6644	Discontinued
0.6606	Remote Similarity	NPD5608	Approved
0.6606	Remote Similarity	NPD5609	Approved
0.6606	Remote Similarity	NPD5610	Approved
0.6605	Remote Similarity	NPD4663	Approved
0.6593	Remote Similarity	NPD4859	Phase 1
0.6587	Remote Similarity	NPD2970	Approved
0.6587	Remote Similarity	NPD2969	Approved
0.6585	Remote Similarity	NPD8358	Approved
0.6579	Remote Similarity	NPD5676	Approved
0.6577	Remote Similarity	NPD4107	Approved
0.6577	Remote Similarity	NPD6519	Phase 2
0.6574	Remote Similarity	NPD7906	Approved
0.6573	Remote Similarity	NPD6503	Clinical (unspecified phase)
0.657	Remote Similarity	NPD2249	Approved
0.657	Remote Similarity	NPD2247	Approved
0.6562	Remote Similarity	NPD7497	Discontinued
0.656	Remote Similarity	NPD7296	Approved
0.6557	Remote Similarity	NPD6654	Clinical (unspecified phase)
0.6557	Remote Similarity	NPD6716	Phase 1
0.6555	Remote Similarity	NPD6607	Clinical (unspecified phase)
0.6555	Remote Similarity	NPD4981	Phase 2
0.6553	Remote Similarity	NPD5619	Clinical (unspecified phase)
0.655	Remote Similarity	NPD7827	Phase 1
0.6549	Remote Similarity	NPD7222	Phase 2
0.6547	Remote Similarity	NPD7476	Discontinued
0.6544	Remote Similarity	NPD5896	Clinical (unspecified phase)
0.6542	Remote Similarity	NPD4577	Approved
0.6542	Remote Similarity	NPD7922	Phase 1
0.6542	Remote Similarity	NPD4578	Approved
0.654	Remote Similarity	NPD7268	Clinical (unspecified phase)
0.6533	Remote Similarity	NPD3946	Clinical (unspecified phase)
0.6532	Remote Similarity	NPD8101	Phase 3
0.6532	Remote Similarity	NPD8367	Approved
0.6527	Remote Similarity	NPD7284	Clinical (unspecified phase)
0.652	Remote Similarity	NPD7302	Phase 3
0.652	Remote Similarity	NPD8027	Approved
0.652	Remote Similarity	NPD7300	Phase 3
0.6519	Remote Similarity	NPD8489	Phase 1
0.6518	Remote Similarity	NPD7627	Approved
0.6518	Remote Similarity	NPD7626	Approved
0.6518	Remote Similarity	NPD3057	Approved
0.6516	Remote Similarity	NPD7417	Discontinued
0.6514	Remote Similarity	NPD3808	Clinical (unspecified phase)
0.6514	Remote Similarity	NPD5871	Discontinued
0.6512	Remote Similarity	NPD7090	Clinical (unspecified phase)
0.6509	Remote Similarity	NPD7479	Phase 2
0.6504	Remote Similarity	NPD5483	Clinical (unspecified phase)
0.6498	Remote Similarity	NPD3398	Discontinued

Structure

NPC234772 OpenBabel07101718312D 30 35 0 0 1 0 0 0 0 0999 V2000 3.9866 -0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1892 2.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7575 -0.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8196 0.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 -1.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 0.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2451 1.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2451 -0.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1988 -0.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9197 -1.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1033 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6972 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4286 -1.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 -0.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3044 -0.6663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4077 -0.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4077 0.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2379 -0.4159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 -0.9670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3825 -0.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -0.6279 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4880 -0.4835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9197 0.2988 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4880 1.0811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -1.0488 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0119 -2.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6307 -1.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9200 -0.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0678 -0.1981 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 5 1 0 0 0 0 2 24 1 0 0 0 0 3 28 1 0 0 0 0 4 29 1 0 0 0 0 5 13 2 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 17 1 0 0 0 0 8 14 2 0 0 0 0 8 16 1 0 0 0 0 9 15 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 12 21 1 0 0 0 0 12 26 1 0 0 0 0 13 15 1 0 0 0 0 14 28 1 0 0 0 0 15 21 1 6 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 24 1 0 0 0 0 18 23 1 6 0 0 0 18 25 1 0 0 0 0 19 25 1 1 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 20 27 2 0 0 0 0 20 29 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 23 24 1 0 0 0 0 23 30 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	46229073
ChEMBL	CHEMBL591719
ZINC

Physicochemical Properties

Molecular Weight:	412.20
ALogP:	-0.0489
MLogP:	3.22
XLogP:	1.042
# Rotatable Bonds:	9
Polar Surface Area:	71.47
# H-Bond Aceptor:	6
# H-Bond Donor:	1
# Rings:	6
# Heavy Atoms:	30

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