NPASS Natural Product

Natural Product: NPC21425

Natural Product ID:	NPC21425
Common Name:	n.a.
IUPAC Name:
Synonyms:	10-Methoxycathafoline
Molecular Formula:	C22H28N2O3
Standard InCHIKey:	CZQHEAVUHGUKFA-XCSSOUJTSA-N
Standard InCHI:	InChI=1S/C22H28N2O3/c1-5-13-12-24-9-8-22-16-10-14(26-3)6-7-17(16)23(2)20(22)18(24)11-15(13)19(22)21(25)27-4/h5-7,10,15,18-20H,8-9,11-12H2,1-4H3/b13-5-/t15-,18+,19-,20+,22+/m1/s1
Canonical SMILES:	COC(=O)[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@]1(CCN3C/C/2=C/C)c1cc(OC)ccc1N4C
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				TCMID*

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Cell Line	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT91	Cell Line	KB	Homo sapiens	IC50	>	100000	nM	23806072

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 NPC21425 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	261
0.1-0.2	1167
0.2-0.3	3915
0.3-0.4	8507
0.4-0.5	9813
0.5-0.6	5734
0.6-0.7	1284
0.7-0.8	202
0.8-0.85	5
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8641	High Similarity	NPC138830
0.8402	Intermediate Similarity	NPC234772
0.8148	Intermediate Similarity	NPC67904
0.8061	Intermediate Similarity	NPC159815
0.8021	Intermediate Similarity	NPC203972
0.801	Intermediate Similarity	NPC82541
0.798	Intermediate Similarity	NPC231924
0.797	Intermediate Similarity	NPC472098
0.7957	Intermediate Similarity	NPC5630
0.7914	Intermediate Similarity	NPC22476
0.791	Intermediate Similarity	NPC288110
0.7897	Intermediate Similarity	NPC478075
0.7887	Intermediate Similarity	NPC475147
0.7861	Intermediate Similarity	NPC473569
0.7847	Intermediate Similarity	NPC160113
0.7847	Intermediate Similarity	NPC476220
0.7789	Intermediate Similarity	NPC10732
0.7783	Intermediate Similarity	NPC318525
0.7783	Intermediate Similarity	NPC10653
0.7778	Intermediate Similarity	NPC473004
0.7766	Intermediate Similarity	NPC474059
0.7727	Intermediate Similarity	NPC475133
0.7709	Intermediate Similarity	NPC472115
0.7709	Intermediate Similarity	NPC472114
0.77	Intermediate Similarity	NPC476258
0.77	Intermediate Similarity	NPC304837
0.7696	Intermediate Similarity	NPC472099
0.7692	Intermediate Similarity	NPC474077
0.7688	Intermediate Similarity	NPC269449
0.7685	Intermediate Similarity	NPC96321
0.7665	Intermediate Similarity	NPC195787
0.7665	Intermediate Similarity	NPC246140
0.7647	Intermediate Similarity	NPC473007
0.7644	Intermediate Similarity	NPC473458
0.7642	Intermediate Similarity	NPC154922
0.7612	Intermediate Similarity	NPC119722
0.7604	Intermediate Similarity	NPC230313
0.76	Intermediate Similarity	NPC478076
0.7596	Intermediate Similarity	NPC476436
0.7577	Intermediate Similarity	NPC100863
0.7577	Intermediate Similarity	NPC71124
0.7563	Intermediate Similarity	NPC207971
0.7556	Intermediate Similarity	NPC70172
0.7525	Intermediate Similarity	NPC127996
0.7524	Intermediate Similarity	NPC311906
0.7523	Intermediate Similarity	NPC120239
0.75	Intermediate Similarity	NPC127178
0.75	Intermediate Similarity	NPC139373
0.7488	Intermediate Similarity	NPC223242
0.7487	Intermediate Similarity	NPC138615
0.7487	Intermediate Similarity	NPC132874
0.7487	Intermediate Similarity	NPC218733
0.7487	Intermediate Similarity	NPC265642
0.7487	Intermediate Similarity	NPC473008
0.7487	Intermediate Similarity	NPC193906
0.7487	Intermediate Similarity	NPC23080
0.7486	Intermediate Similarity	NPC248117
0.7486	Intermediate Similarity	NPC225319
0.7476	Intermediate Similarity	NPC222046
0.7474	Intermediate Similarity	NPC181928
0.7465	Intermediate Similarity	NPC113455
0.7463	Intermediate Similarity	NPC195636
0.7459	Intermediate Similarity	NPC24954
0.7449	Intermediate Similarity	NPC5374
0.7448	Intermediate Similarity	NPC28510
0.7448	Intermediate Similarity	NPC203628
0.7446	Intermediate Similarity	NPC251212
0.7446	Intermediate Similarity	NPC214626
0.7446	Intermediate Similarity	NPC139085
0.7446	Intermediate Similarity	NPC476425
0.7444	Intermediate Similarity	NPC99632
0.7444	Intermediate Similarity	NPC230942
0.7444	Intermediate Similarity	NPC315498
0.7444	Intermediate Similarity	NPC282339
0.7437	Intermediate Similarity	NPC87714
0.7437	Intermediate Similarity	NPC268077
0.7435	Intermediate Similarity	NPC477186
0.743	Intermediate Similarity	NPC193410
0.7426	Intermediate Similarity	NPC471304
0.7419	Intermediate Similarity	NPC285941
0.7418	Intermediate Similarity	NPC476429
0.7409	Intermediate Similarity	NPC204970
0.7396	Intermediate Similarity	NPC473298
0.7393	Intermediate Similarity	NPC471513
0.7389	Intermediate Similarity	NPC93653
0.7379	Intermediate Similarity	NPC126556
0.7374	Intermediate Similarity	NPC61013
0.7371	Intermediate Similarity	NPC254957
0.7368	Intermediate Similarity	NPC249405
0.7366	Intermediate Similarity	NPC476441
0.736	Intermediate Similarity	NPC161827
0.7356	Intermediate Similarity	NPC476069
0.734	Intermediate Similarity	NPC287588
0.7337	Intermediate Similarity	NPC1464
0.7337	Intermediate Similarity	NPC473005
0.7333	Intermediate Similarity	NPC243626
0.733	Intermediate Similarity	NPC152768
0.733	Intermediate Similarity	NPC148183
0.7327	Intermediate Similarity	NPC301501
0.7321	Intermediate Similarity	NPC46259
0.7321	Intermediate Similarity	NPC128476
0.7317	Intermediate Similarity	NPC473006
0.7306	Intermediate Similarity	NPC22689
0.7306	Intermediate Similarity	NPC105055
0.7299	Intermediate Similarity	NPC115588
0.7297	Intermediate Similarity	NPC85482
0.7296	Intermediate Similarity	NPC303214
0.7287	Intermediate Similarity	NPC321211
0.7283	Intermediate Similarity	NPC224970
0.7283	Intermediate Similarity	NPC167724
0.7283	Intermediate Similarity	NPC223595
0.7282	Intermediate Similarity	NPC189661
0.7281	Intermediate Similarity	NPC131977
0.7273	Intermediate Similarity	NPC203202
0.7273	Intermediate Similarity	NPC264482
0.7268	Intermediate Similarity	NPC264176
0.726	Intermediate Similarity	NPC473041
0.726	Intermediate Similarity	NPC77777
0.7256	Intermediate Similarity	NPC474192
0.7256	Intermediate Similarity	NPC475720
0.7245	Intermediate Similarity	NPC34717
0.7243	Intermediate Similarity	NPC477397
0.7238	Intermediate Similarity	NPC243673
0.7238	Intermediate Similarity	NPC97380
0.7238	Intermediate Similarity	NPC148468
0.7238	Intermediate Similarity	NPC310403
0.7238	Intermediate Similarity	NPC63210
0.7238	Intermediate Similarity	NPC263709
0.723	Intermediate Similarity	NPC478078
0.7228	Intermediate Similarity	NPC477161
0.7227	Intermediate Similarity	NPC469451
0.7225	Intermediate Similarity	NPC179704
0.7222	Intermediate Similarity	NPC17677
0.7217	Intermediate Similarity	NPC19175
0.7216	Intermediate Similarity	NPC312531
0.7215	Intermediate Similarity	NPC469450
0.7211	Intermediate Similarity	NPC190461
0.72	Intermediate Similarity	NPC471489
0.72	Intermediate Similarity	NPC469732
0.72	Intermediate Similarity	NPC232600
0.7198	Intermediate Similarity	NPC55470
0.7192	Intermediate Similarity	NPC308943
0.7182	Intermediate Similarity	NPC477066
0.7182	Intermediate Similarity	NPC123241
0.7175	Intermediate Similarity	NPC17437
0.7174	Intermediate Similarity	NPC470069
0.7174	Intermediate Similarity	NPC52059
0.7173	Intermediate Similarity	NPC98197
0.7172	Intermediate Similarity	NPC90967
0.7167	Intermediate Similarity	NPC473297
0.7166	Intermediate Similarity	NPC96901
0.7163	Intermediate Similarity	NPC469928
0.7162	Intermediate Similarity	NPC329932
0.7158	Intermediate Similarity	NPC293458
0.715	Intermediate Similarity	NPC33902
0.715	Intermediate Similarity	NPC329793
0.715	Intermediate Similarity	NPC276674
0.7149	Intermediate Similarity	NPC469452
0.7149	Intermediate Similarity	NPC478082
0.7149	Intermediate Similarity	NPC477067
0.7149	Intermediate Similarity	NPC473540
0.7149	Intermediate Similarity	NPC478081
0.7143	Intermediate Similarity	NPC472111
0.7143	Intermediate Similarity	NPC260075
0.7143	Intermediate Similarity	NPC476326
0.7136	Intermediate Similarity	NPC475816
0.7136	Intermediate Similarity	NPC21638
0.7128	Intermediate Similarity	NPC174629
0.7128	Intermediate Similarity	NPC474904
0.7127	Intermediate Similarity	NPC29285
0.7126	Intermediate Similarity	NPC470925
0.7122	Intermediate Similarity	NPC477160
0.712	Intermediate Similarity	NPC475780
0.7104	Intermediate Similarity	NPC474058
0.7098	Intermediate Similarity	NPC322621
0.7098	Intermediate Similarity	NPC102760
0.7097	Intermediate Similarity	NPC33507
0.7092	Intermediate Similarity	NPC25401
0.7088	Intermediate Similarity	NPC153694
0.7088	Intermediate Similarity	NPC113946
0.7088	Intermediate Similarity	NPC211525
0.7079	Intermediate Similarity	NPC52801
0.7074	Intermediate Similarity	NPC21752
0.7074	Intermediate Similarity	NPC210415
0.7074	Intermediate Similarity	NPC276993
0.7074	Intermediate Similarity	NPC298851
0.7074	Intermediate Similarity	NPC181138
0.7074	Intermediate Similarity	NPC293255
0.7071	Intermediate Similarity	NPC198401
0.7068	Intermediate Similarity	NPC85613
0.7068	Intermediate Similarity	NPC5167
0.7059	Intermediate Similarity	NPC469915
0.7056	Intermediate Similarity	NPC79213
0.7049	Intermediate Similarity	NPC36495
0.7047	Intermediate Similarity	NPC115906
0.7043	Intermediate Similarity	NPC278887
0.7031	Intermediate Similarity	NPC476428
0.7031	Intermediate Similarity	NPC288305
0.702	Intermediate Similarity	NPC470485
0.7019	Intermediate Similarity	NPC470481

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC21425 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	175
0.1-0.2	616
0.2-0.3	821
0.3-0.4	1084
0.4-0.5	2612
0.5-0.6	2940
0.6-0.7	853
0.7-0.8	60
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
0.7901	Intermediate Similarity	NPD5600	Discontinued
0.7598	Intermediate Similarity	NPD6533	Clinical (unspecified phase)
0.7569	Intermediate Similarity	NPD3983	Phase 3
0.7569	Intermediate Similarity	NPD6457	Approved
0.7569	Intermediate Similarity	NPD3984	Clinical (unspecified phase)
0.7553	Intermediate Similarity	NPD6021	Clinical (unspecified phase)
0.7527	Intermediate Similarity	NPD6293	Clinical (unspecified phase)
0.7462	Intermediate Similarity	NPD6238	Discontinued
0.7459	Intermediate Similarity	NPD4796	Discontinued
0.7444	Intermediate Similarity	NPD19	Approved
0.7444	Intermediate Similarity	NPD1743	Approved
0.7444	Intermediate Similarity	NPD1742	Approved
0.7435	Intermediate Similarity	NPD5620	Clinical (unspecified phase)
0.743	Intermediate Similarity	NPD5294	Clinical (unspecified phase)
0.74	Intermediate Similarity	NPD7174	Clinical (unspecified phase)
0.7398	Intermediate Similarity	NPD5071	Phase 2
0.7396	Intermediate Similarity	NPD5896	Clinical (unspecified phase)
0.7394	Intermediate Similarity	NPD7149	Clinical (unspecified phase)
0.7385	Intermediate Similarity	NPD5548	Clinical (unspecified phase)
0.7366	Intermediate Similarity	NPD5603	Clinical (unspecified phase)
0.7337	Intermediate Similarity	NPD5183	Approved
0.7337	Intermediate Similarity	NPD5186	Approved
0.7288	Intermediate Similarity	NPD3640	Phase 3
0.7288	Intermediate Similarity	NPD3641	Approved
0.7288	Intermediate Similarity	NPD3639	Approved
0.7228	Intermediate Similarity	NPD6037	Discontinued
0.7196	Intermediate Similarity	NPD5900	Clinical (unspecified phase)
0.7175	Intermediate Similarity	NPD8358	Approved
0.7172	Intermediate Similarity	NPD7238	Clinical (unspecified phase)
0.7171	Intermediate Similarity	NPD5860	Discontinued
0.7165	Intermediate Similarity	NPD6608	Clinical (unspecified phase)
0.7158	Intermediate Similarity	NPD6654	Clinical (unspecified phase)
0.7157	Intermediate Similarity	NPD4859	Phase 1
0.7157	Intermediate Similarity	NPD8027	Approved
0.7151	Intermediate Similarity	NPD4166	Phase 2
0.7143	Intermediate Similarity	NPD5312	Approved
0.7143	Intermediate Similarity	NPD5521	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD5313	Approved
0.7143	Intermediate Similarity	NPD5334	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD5754	Discontinued
0.7114	Intermediate Similarity	NPD6321	Discontinued
0.7114	Intermediate Similarity	NPD3416	Discontinued
0.7112	Intermediate Similarity	NPD5680	Clinical (unspecified phase)
0.7111	Intermediate Similarity	NPD6357	Discontinued
0.7109	Intermediate Similarity	NPD3437	Discontinued
0.7107	Intermediate Similarity	NPD7262	Phase 1
0.7105	Intermediate Similarity	NPD7479	Phase 2
0.71	Intermediate Similarity	NPD4118	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD7126	Discontinued
0.7092	Intermediate Similarity	NPD6656	Clinical (unspecified phase)
0.7073	Intermediate Similarity	NPD4082	Approved
0.7047	Intermediate Similarity	NPD2968	Approved
0.7047	Intermediate Similarity	NPD2971	Approved
0.7037	Intermediate Similarity	NPD7449	Clinical (unspecified phase)
0.7018	Intermediate Similarity	NPD3109	Approved
0.7018	Intermediate Similarity	NPD3110	Approved
0.7018	Intermediate Similarity	NPD4885	Approved
0.7015	Intermediate Similarity	NPD6874	Approved
0.7009	Intermediate Similarity	NPD7820	Phase 3
0.7009	Intermediate Similarity	NPD3912	Discontinued
0.699	Remote Similarity	NPD2907	Approved
0.699	Remote Similarity	NPD2906	Approved
0.699	Remote Similarity	NPD4154	Approved
0.6985	Remote Similarity	NPD4418	Discontinued
0.6984	Remote Similarity	NPD4481	Phase 3
0.6978	Remote Similarity	NPD5488	Discontinued
0.6971	Remote Similarity	NPD6567	Clinical (unspecified phase)
0.6963	Remote Similarity	NPD3050	Clinical (unspecified phase)
0.6961	Remote Similarity	NPD814	Clinical (unspecified phase)
0.6959	Remote Similarity	NPD7280	Phase 3
0.6959	Remote Similarity	NPD7281	Phase 3
0.6957	Remote Similarity	NPD2842	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD6060	Clinical (unspecified phase)
0.6954	Remote Similarity	NPD5928	Phase 1
0.6947	Remote Similarity	NPD5602	Clinical (unspecified phase)
0.6938	Remote Similarity	NPD7178	Clinical (unspecified phase)
0.6938	Remote Similarity	NPD4494	Approved
0.6938	Remote Similarity	NPD4492	Approved
0.6931	Remote Similarity	NPD3975	Discontinued
0.6927	Remote Similarity	NPD6644	Discontinued
0.6927	Remote Similarity	NPD3124	Discontinued
0.6915	Remote Similarity	NPD6379	Discontinued
0.6915	Remote Similarity	NPD2680	Approved
0.6915	Remote Similarity	NPD6107	Approved
0.6915	Remote Similarity	NPD2681	Approved
0.6911	Remote Similarity	NPD4498	Clinical (unspecified phase)
0.6902	Remote Similarity	NPD7248	Discontinued
0.6898	Remote Similarity	NPD7821	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD7255	Clinical (unspecified phase)
0.6895	Remote Similarity	NPD5997	Discontinued
0.6895	Remote Similarity	NPD6365	Clinical (unspecified phase)
0.6895	Remote Similarity	NPD6607	Clinical (unspecified phase)
0.6891	Remote Similarity	NPD6211	Clinical (unspecified phase)
0.6891	Remote Similarity	NPD6297	Approved
0.689	Remote Similarity	NPD4493	Discontinued
0.6889	Remote Similarity	NPD4584	Approved
0.6887	Remote Similarity	NPD3940	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD5670	Approved
0.6872	Remote Similarity	NPD1305	Clinical (unspecified phase)
0.6872	Remote Similarity	NPD3141	Discontinued
0.6869	Remote Similarity	NPD7858	Clinical (unspecified phase)
0.6869	Remote Similarity	NPD5433	Clinical (unspecified phase)
0.6859	Remote Similarity	NPD5938	Phase 3
0.6857	Remote Similarity	NPD7225	Discontinued
0.685	Remote Similarity	NPD5610	Approved
0.6848	Remote Similarity	NPD4424	Discontinued
0.6836	Remote Similarity	NPD4664	Clinical (unspecified phase)
0.6834	Remote Similarity	NPD2488	Approved
0.6834	Remote Similarity	NPD2490	Approved
0.6832	Remote Similarity	NPD5515	Phase 2
0.683	Remote Similarity	NPD8016	Phase 3
0.683	Remote Similarity	NPD8017	Clinical (unspecified phase)
0.6828	Remote Similarity	NPD8100	Phase 3
0.6827	Remote Similarity	NPD6593	Clinical (unspecified phase)
0.6825	Remote Similarity	NPD4986	Clinical (unspecified phase)
0.6825	Remote Similarity	NPD4455	Discontinued
0.6823	Remote Similarity	NPD6645	Clinical (unspecified phase)
0.6816	Remote Similarity	NPD3301	Approved
0.6812	Remote Similarity	NPD5530	Phase 1
0.6811	Remote Similarity	NPD3812	Clinical (unspecified phase)
0.6811	Remote Similarity	NPD1769	Discontinued
0.68	Remote Similarity	NPD2670	Approved
0.6792	Remote Similarity	NPD3257	Approved
0.6791	Remote Similarity	NPD3783	Clinical (unspecified phase)
0.6789	Remote Similarity	NPD7186	Phase 3
0.6788	Remote Similarity	NPD5810	Discontinued
0.6786	Remote Similarity	NPD3534	Clinical (unspecified phase)
0.6786	Remote Similarity	NPD5917	Clinical (unspecified phase)
0.6782	Remote Similarity	NPD5582	Discontinued
0.6779	Remote Similarity	NPD4596	Phase 1
0.6777	Remote Similarity	NPD3888	Discontinued
0.6774	Remote Similarity	NPD6738	Phase 2
0.6774	Remote Similarity	NPD6737	Phase 2
0.6772	Remote Similarity	NPD2162	Clinical (unspecified phase)
0.6763	Remote Similarity	NPD4040	Phase 1
0.6763	Remote Similarity	NPD6250	Discontinued
0.6761	Remote Similarity	NPD8149	Discontinued
0.6757	Remote Similarity	NPD6723	Discontinued
0.6757	Remote Similarity	NPD6741	Clinical (unspecified phase)
0.6752	Remote Similarity	NPD7955	Approved
0.6752	Remote Similarity	NPD7956	Approved
0.6751	Remote Similarity	NPD6853	Approved
0.6751	Remote Similarity	NPD6851	Approved
0.675	Remote Similarity	NPD5871	Discontinued
0.6748	Remote Similarity	NPD956	Clinical (unspecified phase)
0.6746	Remote Similarity	NPD3472	Approved
0.6746	Remote Similarity	NPD5658	Approved
0.6746	Remote Similarity	NPD4022	Approved
0.6745	Remote Similarity	NPD7571	Clinical (unspecified phase)
0.6745	Remote Similarity	NPD4356	Discontinued
0.6744	Remote Similarity	NPD3258	Approved
0.6739	Remote Similarity	NPD4121	Phase 3
0.6739	Remote Similarity	NPD4120	Approved
0.6739	Remote Similarity	NPD8101	Phase 3
0.6733	Remote Similarity	NPD6493	Phase 3
0.6732	Remote Similarity	NPD4107	Approved
0.6731	Remote Similarity	NPD6245	Phase 2
0.6728	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.6724	Remote Similarity	NPD8463	Approved
0.6724	Remote Similarity	NPD5185	Approved
0.6724	Remote Similarity	NPD5182	Approved
0.6724	Remote Similarity	NPD5184	Approved
0.6723	Remote Similarity	NPD7708	Approved
0.6721	Remote Similarity	NPD4727	Phase 1
0.672	Remote Similarity	NPD7298	Approved
0.6715	Remote Similarity	NPD7064	Clinical (unspecified phase)
0.6703	Remote Similarity	NPD5741	Approved
0.6703	Remote Similarity	NPD5743	Approved
0.6703	Remote Similarity	NPD5742	Approved
0.6699	Remote Similarity	NPD7222	Phase 2
0.6699	Remote Similarity	NPD5143	Clinical (unspecified phase)
0.6698	Remote Similarity	NPD3354	Phase 2
0.6697	Remote Similarity	NPD7278	Phase 2
0.6697	Remote Similarity	NPD6199	Discontinued
0.6697	Remote Similarity	NPD7279	Phase 2
0.6684	Remote Similarity	NPD7032	Approved
0.6683	Remote Similarity	NPD6046	Clinical (unspecified phase)
0.6683	Remote Similarity	NPD3946	Clinical (unspecified phase)
0.6683	Remote Similarity	NPD8103	Clinical (unspecified phase)
0.6683	Remote Similarity	NPD4456	Clinical (unspecified phase)
0.6683	Remote Similarity	NPD4515	Suspended
0.6682	Remote Similarity	NPD4997	Clinical (unspecified phase)
0.6682	Remote Similarity	NPD3893	Discontinued
0.6682	Remote Similarity	NPD3372	Discontinued
0.6667	Remote Similarity	NPD6618	Phase 2
0.6667	Remote Similarity	NPD7193	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD7668	Phase 2
0.6667	Remote Similarity	NPD1078	Clinical (unspecified phase)
0.6651	Remote Similarity	NPD7272	Discontinued
0.665	Remote Similarity	NPD3289	Phase 3
0.665	Remote Similarity	NPD3290	Approved
0.6649	Remote Similarity	NPD5811	Approved
0.6649	Remote Similarity	NPD5967	Approved
0.6648	Remote Similarity	NPD7598	Phase 2
0.6648	Remote Similarity	NPD7045	Clinical (unspecified phase)
0.6638	Remote Similarity	NPD5483	Clinical (unspecified phase)
0.6637	Remote Similarity	NPD7797	Approved
0.6637	Remote Similarity	NPD7796	Approved
0.6636	Remote Similarity	NPD6242	Discontinued
0.6634	Remote Similarity	NPD4987	Clinical (unspecified phase)

Structure

CID21425 OpenBabel06191715342D 27 31 0 0 1 0 0 0 0 0999 V2000 4.3541 2.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2202 4.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9166 3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3541 2.0302 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 -1.5823 0.9135 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 2.6831 1.3090 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 2.3821 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0807 0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8591 1.1613 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 2.3245 1.1020 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 -0.5878 0.8090 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 1.6876 1.5362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9511 0.3090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8367 2.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 1.3090 0.0000 C 0 0 2 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 0.3090 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0549 3.1485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 3.5497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7676 2.8904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 23 1 0 0 0 0 3 26 1 0 0 0 0 4 27 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 9 1 0 0 0 0 9 24 1 0 0 0 0 10 14 2 0 0 0 0 10 16 1 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 14 26 1 0 0 0 0 15 11 1 1 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 6 0 0 0 19 21 1 0 0 0 0 19 22 1 1 0 0 0 20 22 1 6 0 0 0 20 23 1 0 0 0 0 21 25 2 0 0 0 0 21 27 1 0 0 0 0 22 8 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	71719400
ChEMBL	CHEMBL2332143
ZINC

Physicochemical Properties

Molecular Weight:	368.21
ALogP:	0.6846
MLogP:	3.33
XLogP:	2.068
# Rotatable Bonds:	7
Polar Surface Area:	42.01
# H-Bond Aceptor:	4
# H-Bond Donor:	0
# Rings:	5
# Heavy Atoms:	27

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