NPASS Natural Product

Natural Product: NPC471122

Natural Product ID:	NPC471122
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C19H24N2O2
Standard InCHIKey:	DUUKAPWRHRHNBO-PWCSWUJKSA-N
Standard InCHI:	InChI=1S/C19H24N2O2/c1-2-17-9-5-12-20-13-11-18(23)14-6-3-4-7-15(14)21(19(17,18)20)16(22)8-10-17/h3-4,6-7,23H,2,5,8-13H2,1H3/t17-,18-,19?/m1/s1
Canonical SMILES:	CC[C@@]12CCCN3C42N(C(=O)CC1)c1c([C@]4(O)CC3)cccc1
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
NPO10199	Leuconotis griffithii	NA	NA	NA				PMID[23647487]

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	=	9.34	ug/ml	10.1039/C0MD00239A

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 NPC471122 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	183
0.1-0.2	925
0.2-0.3	3747
0.3-0.4	11617
0.4-0.5	10737
0.5-0.6	3031
0.6-0.7	525
0.7-0.8	118
0.8-0.85	3
0.85-0.9	2
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9733	High Similarity	NPC471124
0.8642	High Similarity	NPC470548
0.8571	High Similarity	NPC471123
0.8212	Intermediate Similarity	NPC469560
0.8	Intermediate Similarity	NPC472114
0.8	Intermediate Similarity	NPC472115
0.7956	Intermediate Similarity	NPC471436
0.7921	Intermediate Similarity	NPC470787
0.7921	Intermediate Similarity	NPC472539
0.7921	Intermediate Similarity	NPC472540
0.7877	Intermediate Similarity	NPC472542
0.7877	Intermediate Similarity	NPC472541
0.7818	Intermediate Similarity	NPC476231
0.7812	Intermediate Similarity	NPC473329
0.7744	Intermediate Similarity	NPC113946
0.7711	Intermediate Similarity	NPC472117
0.7711	Intermediate Similarity	NPC472120
0.7711	Intermediate Similarity	NPC472101
0.7654	Intermediate Similarity	NPC66936
0.7619	Intermediate Similarity	NPC472106
0.7602	Intermediate Similarity	NPC285622
0.759	Intermediate Similarity	NPC36495
0.758	Intermediate Similarity	NPC315051
0.756	Intermediate Similarity	NPC313757
0.7545	Intermediate Similarity	NPC68650
0.7544	Intermediate Similarity	NPC355
0.7542	Intermediate Similarity	NPC473569
0.7514	Intermediate Similarity	NPC259626
0.7458	Intermediate Similarity	NPC2933
0.744	Intermediate Similarity	NPC472102
0.744	Intermediate Similarity	NPC309531
0.7433	Intermediate Similarity	NPC477179
0.7427	Intermediate Similarity	NPC33507
0.7425	Intermediate Similarity	NPC222029
0.7414	Intermediate Similarity	NPC475607
0.7401	Intermediate Similarity	NPC256288
0.7399	Intermediate Similarity	NPC139085
0.7399	Intermediate Similarity	NPC214626
0.7399	Intermediate Similarity	NPC251212
0.7394	Intermediate Similarity	NPC477178
0.7394	Intermediate Similarity	NPC477181
0.7394	Intermediate Similarity	NPC477180
0.7394	Intermediate Similarity	NPC254850
0.7384	Intermediate Similarity	NPC469915
0.7381	Intermediate Similarity	NPC276085
0.7371	Intermediate Similarity	NPC474081
0.7365	Intermediate Similarity	NPC29285
0.7356	Intermediate Similarity	NPC475594
0.7354	Intermediate Similarity	NPC477174
0.7354	Intermediate Similarity	NPC477173
0.7354	Intermediate Similarity	NPC470490
0.7348	Intermediate Similarity	NPC105055
0.7348	Intermediate Similarity	NPC22689
0.734	Intermediate Similarity	NPC295548
0.733	Intermediate Similarity	NPC475761
0.7321	Intermediate Similarity	NPC469428
0.7316	Intermediate Similarity	NPC470488
0.7314	Intermediate Similarity	NPC129624
0.7312	Intermediate Similarity	NPC22082
0.7312	Intermediate Similarity	NPC470301
0.7312	Intermediate Similarity	NPC186284
0.7294	Intermediate Similarity	NPC85651
0.7278	Intermediate Similarity	NPC473615
0.7277	Intermediate Similarity	NPC475259
0.7277	Intermediate Similarity	NPC471945
0.7277	Intermediate Similarity	NPC470491
0.7277	Intermediate Similarity	NPC471950
0.7273	Intermediate Similarity	NPC318086
0.7268	Intermediate Similarity	NPC471663
0.7267	Intermediate Similarity	NPC279527
0.7267	Intermediate Similarity	NPC214960
0.7263	Intermediate Similarity	NPC225400
0.7253	Intermediate Similarity	NPC128582
0.7246	Intermediate Similarity	NPC478076
0.724	Intermediate Similarity	NPC471946
0.724	Intermediate Similarity	NPC471951
0.7238	Intermediate Similarity	NPC229484
0.7235	Intermediate Similarity	NPC225319
0.7232	Intermediate Similarity	NPC474041
0.7229	Intermediate Similarity	NPC154602
0.7225	Intermediate Similarity	NPC471155
0.7225	Intermediate Similarity	NPC472538
0.7225	Intermediate Similarity	NPC470786
0.7222	Intermediate Similarity	NPC272174
0.7219	Intermediate Similarity	NPC61013
0.7216	Intermediate Similarity	NPC476441
0.7212	Intermediate Similarity	NPC109787
0.7211	Intermediate Similarity	NPC470489
0.7202	Intermediate Similarity	NPC475359
0.7202	Intermediate Similarity	NPC191817
0.72	Intermediate Similarity	NPC242269
0.7198	Intermediate Similarity	NPC292675
0.7188	Intermediate Similarity	NPC270241
0.7186	Intermediate Similarity	NPC474896
0.7176	Intermediate Similarity	NPC193410
0.7175	Intermediate Similarity	NPC260075
0.715	Intermediate Similarity	NPC31097
0.7135	Intermediate Similarity	NPC99043
0.7135	Intermediate Similarity	NPC248117
0.7135	Intermediate Similarity	NPC218594
0.7118	Intermediate Similarity	NPC211525
0.7118	Intermediate Similarity	NPC153694
0.7117	Intermediate Similarity	NPC308197
0.7111	Intermediate Similarity	NPC477159
0.7095	Intermediate Similarity	NPC166169
0.7093	Intermediate Similarity	NPC286871
0.7093	Intermediate Similarity	NPC176983
0.7085	Intermediate Similarity	NPC219397
0.7069	Intermediate Similarity	NPC278887
0.7063	Intermediate Similarity	NPC267508
0.7033	Intermediate Similarity	NPC307396
0.7029	Intermediate Similarity	NPC223595
0.7029	Intermediate Similarity	NPC224970
0.7029	Intermediate Similarity	NPC167724
0.7027	Intermediate Similarity	NPC203628
0.7018	Intermediate Similarity	NPC104345
0.7018	Intermediate Similarity	NPC123241
0.7006	Intermediate Similarity	NPC177261
0.7006	Intermediate Similarity	NPC242000
0.7006	Intermediate Similarity	NPC476425
0.7006	Intermediate Similarity	NPC96901
0.7	Intermediate Similarity	NPC39822
0.7	Intermediate Similarity	NPC138830
0.7	Intermediate Similarity	NPC67904
0.6994	Remote Similarity	NPC282339
0.6994	Remote Similarity	NPC99632
0.6994	Remote Similarity	NPC293458
0.6989	Remote Similarity	NPC472118
0.6982	Remote Similarity	NPC285381
0.6977	Remote Similarity	NPC63210
0.6977	Remote Similarity	NPC310403
0.6977	Remote Similarity	NPC263709
0.6977	Remote Similarity	NPC97380
0.6977	Remote Similarity	NPC148468
0.6977	Remote Similarity	NPC243673
0.6973	Remote Similarity	NPC5630
0.6957	Remote Similarity	NPC473815
0.6952	Remote Similarity	NPC470485
0.6946	Remote Similarity	NPC254798
0.6944	Remote Similarity	NPC321211
0.6936	Remote Similarity	NPC201424
0.6936	Remote Similarity	NPC474058
0.6936	Remote Similarity	NPC315368
0.6935	Remote Similarity	NPC276430
0.6933	Remote Similarity	NPC130251
0.6933	Remote Similarity	NPC472243
0.6927	Remote Similarity	NPC264482
0.6927	Remote Similarity	NPC203202
0.6923	Remote Similarity	NPC159963
0.6923	Remote Similarity	NPC285192
0.6915	Remote Similarity	NPC221687
0.6914	Remote Similarity	NPC470069
0.6914	Remote Similarity	NPC52059
0.6902	Remote Similarity	NPC478077
0.6898	Remote Similarity	NPC204970
0.6897	Remote Similarity	NPC315498
0.6897	Remote Similarity	NPC230942
0.6897	Remote Similarity	NPC472121
0.6895	Remote Similarity	NPC265642
0.6895	Remote Similarity	NPC138615
0.6895	Remote Similarity	NPC100863
0.6895	Remote Similarity	NPC132874
0.6895	Remote Similarity	NPC218733
0.6885	Remote Similarity	NPC97584
0.6878	Remote Similarity	NPC303214
0.6868	Remote Similarity	NPC476428
0.6868	Remote Similarity	NPC475962
0.6855	Remote Similarity	NPC231382
0.6851	Remote Similarity	NPC6974
0.6848	Remote Similarity	NPC322621
0.6845	Remote Similarity	NPC470483
0.6845	Remote Similarity	NPC25401
0.6845	Remote Similarity	NPC212799
0.6842	Remote Similarity	NPC471199
0.6839	Remote Similarity	NPC143457
0.6839	Remote Similarity	NPC1464
0.6824	Remote Similarity	NPC243756
0.6816	Remote Similarity	NPC181138
0.6816	Remote Similarity	NPC276993
0.6816	Remote Similarity	NPC298851
0.6816	Remote Similarity	NPC293255
0.6816	Remote Similarity	NPC210415
0.6816	Remote Similarity	NPC21752
0.6813	Remote Similarity	NPC476685
0.6813	Remote Similarity	NPC286994
0.6813	Remote Similarity	NPC476689
0.6813	Remote Similarity	NPC476687
0.6802	Remote Similarity	NPC161827
0.6796	Remote Similarity	NPC186669
0.6793	Remote Similarity	NPC302235
0.6789	Remote Similarity	NPC473375
0.6789	Remote Similarity	NPC97100
0.6786	Remote Similarity	NPC472100
0.6786	Remote Similarity	NPC264589
0.6782	Remote Similarity	NPC248601
0.6774	Remote Similarity	NPC14994
0.6774	Remote Similarity	NPC21425
0.6771	Remote Similarity	NPC106118
0.676	Remote Similarity	NPC85482
0.6754	Remote Similarity	NPC162440

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC471122 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	147
0.1-0.2	473
0.2-0.3	746
0.3-0.4	1058
0.4-0.5	2779
0.5-0.6	3383
0.6-0.7	565
0.7-0.8	10
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
0.753	Intermediate Similarity	NPD5715	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD4775	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD4430	Phase 2
0.7325	Intermediate Similarity	NPD2791	Discontinued
0.7312	Intermediate Similarity	NPD3625	Discontinued
0.7195	Intermediate Similarity	NPD3141	Discontinued
0.7143	Intermediate Similarity	NPD8103	Clinical (unspecified phase)
0.7118	Intermediate Similarity	NPD7735	Clinical (unspecified phase)
0.7079	Intermediate Similarity	NPD5600	Discontinued
0.7012	Intermediate Similarity	NPD2820	Phase 3
0.6981	Remote Similarity	NPD7086	Phase 2
0.6977	Remote Similarity	NPD5294	Clinical (unspecified phase)
0.6968	Remote Similarity	NPD6320	Approved
0.6961	Remote Similarity	NPD7149	Clinical (unspecified phase)
0.6951	Remote Similarity	NPD2365	Approved
0.6948	Remote Similarity	NPD3622	Clinical (unspecified phase)
0.6948	Remote Similarity	NPD3623	Clinical (unspecified phase)
0.6941	Remote Similarity	NPD4120	Approved
0.6941	Remote Similarity	NPD4121	Phase 3
0.6935	Remote Similarity	NPD8240	Discontinued
0.6932	Remote Similarity	NPD3983	Phase 3
0.6932	Remote Similarity	NPD3984	Clinical (unspecified phase)
0.6928	Remote Similarity	NPD6017	Discontinued
0.6914	Remote Similarity	NPD4796	Discontinued
0.6906	Remote Similarity	NPD6878	Phase 2
0.6906	Remote Similarity	NPD6879	Phase 2
0.6901	Remote Similarity	NPD5742	Approved
0.6901	Remote Similarity	NPD5743	Approved
0.6901	Remote Similarity	NPD5741	Approved
0.6897	Remote Similarity	NPD1742	Approved
0.6897	Remote Similarity	NPD1743	Approved
0.6897	Remote Similarity	NPD19	Approved
0.6889	Remote Similarity	NPD3449	Discontinued
0.6872	Remote Similarity	NPD7449	Clinical (unspecified phase)
0.6848	Remote Similarity	NPD6557	Phase 2
0.6848	Remote Similarity	NPD6566	Discontinued
0.6842	Remote Similarity	NPD5639	Clinical (unspecified phase)
0.6824	Remote Similarity	NPD3277	Phase 3
0.6782	Remote Similarity	NPD7599	Phase 2
0.6765	Remote Similarity	NPD5748	Phase 2
0.6763	Remote Similarity	NPD1663	Discontinued
0.675	Remote Similarity	NPD4497	Clinical (unspecified phase)
0.6748	Remote Similarity	NPD6102	Clinical (unspecified phase)
0.6744	Remote Similarity	NPD5086	Approved
0.6722	Remote Similarity	NPD5997	Discontinued
0.6707	Remote Similarity	NPD5024	Approved
0.6667	Remote Similarity	NPD3790	Phase 2
0.6667	Remote Similarity	NPD5918	Discontinued
0.6667	Remote Similarity	NPD5042	Phase 1
0.6648	Remote Similarity	NPD5603	Clinical (unspecified phase)
0.6648	Remote Similarity	NPD7600	Phase 2
0.6648	Remote Similarity	NPD6457	Approved
0.6648	Remote Similarity	NPD6524	Clinical (unspecified phase)
0.6648	Remote Similarity	NPD4311	Approved
0.6626	Remote Similarity	NPD6311	Approved
0.6626	Remote Similarity	NPD6309	Approved
0.6626	Remote Similarity	NPD5182	Approved
0.6626	Remote Similarity	NPD5185	Approved
0.6626	Remote Similarity	NPD6310	Approved
0.6626	Remote Similarity	NPD5184	Approved
0.6623	Remote Similarity	NPD5180	Approved
0.6623	Remote Similarity	NPD5179	Approved
0.6623	Remote Similarity	NPD5181	Approved
0.6608	Remote Similarity	NPD4682	Phase 2
0.6608	Remote Similarity	NPD4888	Discontinued
0.6607	Remote Similarity	NPD7082	Approved
0.6607	Remote Similarity	NPD6301	Phase 2
0.6598	Remote Similarity	NPD7000	Clinical (unspecified phase)
0.6598	Remote Similarity	NPD6999	Discontinued
0.6596	Remote Similarity	NPD6484	Approved
0.6596	Remote Similarity	NPD6483	Approved
0.6591	Remote Similarity	NPD33	Approved
0.6591	Remote Similarity	NPD4393	Approved
0.6588	Remote Similarity	NPD3278	Clinical (unspecified phase)
0.6585	Remote Similarity	NPD6318	Clinical (unspecified phase)
0.6579	Remote Similarity	NPD2327	Clinical (unspecified phase)
0.6571	Remote Similarity	NPD6395	Phase 2
0.6571	Remote Similarity	NPD6396	Clinical (unspecified phase)
0.6568	Remote Similarity	NPD6506	Clinical (unspecified phase)
0.6568	Remote Similarity	NPD7259	Approved
0.6564	Remote Similarity	NPD6740	Clinical (unspecified phase)
0.6562	Remote Similarity	NPD5993	Phase 1
0.6561	Remote Similarity	NPD6608	Clinical (unspecified phase)
0.6561	Remote Similarity	NPD8025	Phase 2
0.6546	Remote Similarity	NPD5856	Discontinued
0.6529	Remote Similarity	NPD5932	Phase 3
0.6529	Remote Similarity	NPD5931	Phase 3
0.6529	Remote Similarity	NPD7295	Approved
0.6529	Remote Similarity	NPD5933	Phase 3
0.6527	Remote Similarity	NPD3391	Approved
0.6526	Remote Similarity	NPD3439	Approved
0.6522	Remote Similarity	NPD4317	Approved
0.6522	Remote Similarity	NPD5334	Clinical (unspecified phase)
0.6519	Remote Similarity	NPD5186	Approved
0.6519	Remote Similarity	NPD5183	Approved
0.6512	Remote Similarity	NPD5941	Approved
0.6512	Remote Similarity	NPD5942	Approved
0.6512	Remote Similarity	NPD4432	Discontinued
0.6512	Remote Similarity	NPD4161	Discontinued
0.651	Remote Similarity	NPD1721	Clinical (unspecified phase)
0.6509	Remote Similarity	NPD4464	Clinical (unspecified phase)
0.6509	Remote Similarity	NPD1625	Approved
0.6506	Remote Similarity	NPD7231	Approved
0.6506	Remote Similarity	NPD7230	Approved
0.6506	Remote Similarity	NPD6636	Phase 3
0.65	Remote Similarity	NPD7666	Phase 3
0.65	Remote Similarity	NPD3240	Phase 2
0.65	Remote Similarity	NPD5823	Approved
0.65	Remote Similarity	NPD7665	Phase 2
0.6497	Remote Similarity	NPD4514	Approved
0.6497	Remote Similarity	NPD5255	Approved
0.6494	Remote Similarity	NPD1344	Phase 2
0.6494	Remote Similarity	NPD8401	Approved
0.6494	Remote Similarity	NPD8402	Approved
0.6494	Remote Similarity	NPD8400	Approved
0.6492	Remote Similarity	NPD6022	Clinical (unspecified phase)
0.6488	Remote Similarity	NPD2093	Discontinued
0.6482	Remote Similarity	NPD7001	Phase 3
0.6481	Remote Similarity	NPD1271	Clinical (unspecified phase)
0.6477	Remote Similarity	NPD4602	Approved
0.6474	Remote Similarity	NPD5620	Clinical (unspecified phase)
0.6474	Remote Similarity	NPD6965	Clinical (unspecified phase)
0.6471	Remote Similarity	NPD7487	Discontinued
0.6467	Remote Similarity	NPD6655	Clinical (unspecified phase)
0.6467	Remote Similarity	NPD8022	Clinical (unspecified phase)
0.6467	Remote Similarity	NPD4116	Approved
0.6464	Remote Similarity	NPD7126	Discontinued
0.6463	Remote Similarity	NPD1595	Approved
0.6463	Remote Similarity	NPD1527	Phase 2
0.6463	Remote Similarity	NPD1594	Phase 3
0.646	Remote Similarity	NPD6259	Discontinued
0.6458	Remote Similarity	NPD6665	Discontinued
0.6458	Remote Similarity	NPD6887	Clinical (unspecified phase)
0.6455	Remote Similarity	NPD3315	Phase 3
0.6453	Remote Similarity	NPD2426	Clinical (unspecified phase)
0.6453	Remote Similarity	NPD7794	Clinical (unspecified phase)
0.6452	Remote Similarity	NPD2638	Clinical (unspecified phase)
0.6452	Remote Similarity	NPD6654	Clinical (unspecified phase)
0.6447	Remote Similarity	NPD5552	Discontinued
0.6446	Remote Similarity	NPD6817	Clinical (unspecified phase)
0.6441	Remote Similarity	NPD8060	Phase 1
0.6441	Remote Similarity	NPD8630	Approved
0.6438	Remote Similarity	NPD6792	Phase 3
0.6436	Remote Similarity	NPD5923	Phase 1
0.6429	Remote Similarity	NPD2622	Approved
0.6429	Remote Similarity	NPD3376	Clinical (unspecified phase)
0.6425	Remote Similarity	NPD7168	Phase 3
0.6424	Remote Similarity	NPD7200	Approved
0.6424	Remote Similarity	NPD4254	Approved
0.6424	Remote Similarity	NPD4253	Approved
0.6417	Remote Similarity	NPD3990	Phase 3
0.6416	Remote Similarity	NPD5881	Clinical (unspecified phase)
0.6415	Remote Similarity	NPD1360	Approved
0.6413	Remote Similarity	NPD5919	Clinical (unspecified phase)
0.6407	Remote Similarity	NPD6358	Phase 2
0.6404	Remote Similarity	NPD4485	Approved
0.6404	Remote Similarity	NPD6060	Clinical (unspecified phase)
0.6402	Remote Similarity	NPD8167	Discontinued
0.64	Remote Similarity	NPD3248	Phase 1
0.64	Remote Similarity	NPD2882	Phase 1
0.6398	Remote Similarity	NPD5774	Approved
0.6398	Remote Similarity	NPD5775	Approved
0.6393	Remote Similarity	NPD5727	Clinical (unspecified phase)
0.6393	Remote Similarity	NPD3824	Phase 1
0.6391	Remote Similarity	NPD3434	Clinical (unspecified phase)
0.6384	Remote Similarity	NPD6855	Clinical (unspecified phase)
0.6384	Remote Similarity	NPD7105	Phase 1
0.638	Remote Similarity	NPD5131	Approved
0.638	Remote Similarity	NPD5202	Clinical (unspecified phase)
0.6374	Remote Similarity	NPD2387	Approved
0.6373	Remote Similarity	NPD7570	Approved
0.6373	Remote Similarity	NPD7569	Approved
0.6373	Remote Similarity	NPD5214	Phase 2
0.6369	Remote Similarity	NPD2506	Approved
0.6369	Remote Similarity	NPD6454	Clinical (unspecified phase)
0.6364	Remote Similarity	NPD3989	Phase 3
0.6364	Remote Similarity	NPD2790	Discontinued
0.6364	Remote Similarity	NPD5631	Phase 3
0.6364	Remote Similarity	NPD3227	Phase 2
0.6359	Remote Similarity	NPD5582	Discontinued
0.6358	Remote Similarity	NPD1802	Approved
0.6358	Remote Similarity	NPD1801	Approved
0.6354	Remote Similarity	NPD7793	Clinical (unspecified phase)
0.6353	Remote Similarity	NPD6768	Approved
0.6348	Remote Similarity	NPD7011	Discontinued
0.6341	Remote Similarity	NPD1069	Approved
0.6341	Remote Similarity	NPD1070	Approved
0.6337	Remote Similarity	NPD5595	Clinical (unspecified phase)
0.6337	Remote Similarity	NPD2916	Discontinued
0.6335	Remote Similarity	NPD5136	Clinical (unspecified phase)
0.6335	Remote Similarity	NPD5577	Clinical (unspecified phase)
0.6335	Remote Similarity	NPD4515	Suspended
0.6335	Remote Similarity	NPD3080	Clinical (unspecified phase)
0.6335	Remote Similarity	NPD6141	Clinical (unspecified phase)
0.6335	Remote Similarity	NPD5578	Approved
0.6335	Remote Similarity	NPD6891	Phase 2
0.6331	Remote Similarity	NPD989	Approved
0.6331	Remote Similarity	NPD6606	Clinical (unspecified phase)
0.6329	Remote Similarity	NPD2812	Clinical (unspecified phase)
0.6329	Remote Similarity	NPD2813	Phase 3

Structure

NPC471122 OpenBabel07101718292D 23 27 0 0 1 0 0 0 0 0999 V2000 1.2024 0.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6146 -0.2737 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 -2.0741 -0.5292 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 1.8171 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0435 -0.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 -0.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2822 -0.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 2.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 0.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5388 2.1180 0.0000 C 0 0 0 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 0.0976 -0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3799 -0.1691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 1.6180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5878 0.8090 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5388 1.1180 0.0000 N 0 0 3 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 1.0922 -0.3238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5878 2.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 17 1 0 0 0 0 3 4 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 14 2 0 0 0 0 7 15 2 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 12 20 1 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 21 1 0 0 0 0 16 21 1 0 0 0 0 16 22 2 0 0 0 0 17 19 1 1 0 0 0 18 19 1 6 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	71712372
ChEMBL	CHEMBL2375645
ZINC

Physicochemical Properties

Molecular Weight:	312.18
ALogP:	-1.8029
MLogP:	3.11
XLogP:	3.045
# Rotatable Bonds:	3
Polar Surface Area:	43.78
# H-Bond Aceptor:	4
# H-Bond Donor:	1
# Rings:	5
# Heavy Atoms:	23

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs