NPASS Natural Product

Natural Product: NPC475607

Natural Product ID:	NPC475607
Common Name:	6-Hydroxy-6-(2-Oxodecyl)Indolo[2,1-B]Quinazolin-12-One
IUPAC Name:	6-hydroxy-6-(2-oxodecyl)indolo[2,1-b]quinazolin-12-one
Synonyms:
Molecular Formula:	C25H28N2O3
Standard InCHIKey:	FVKQQBYLKYVOGQ-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C25H28N2O3/c1-2-3-4-5-6-7-12-18(28)17-25(30)20-14-9-11-16-22(20)27-23(29)19-13-8-10-15-21(19)26-24(25)27/h8-11,13-16,30H,2-7,12,17H2,1H3
Canonical SMILES:	CCCCCCCCC(=O)CC1(O)c2nc3ccccc3c(=O)n2c2c1cccc2
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
NPO4147	Phaius mishmensis	Species	Orchidaceae	Eukaryota				PMID[18507473]

Biological Activity

Activity Type	# Activity
IC50	3

Activity Type	# Activity
Cell Line	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT395	Cell Line	SF-268	Homo sapiens	IC50	>	50000	nM	8277308
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	40500	nM	11325227
NPT397	Cell Line	NCI-H460	Homo sapiens	IC50	=	42800	nM	17190458

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 NPC475607 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	241
0.1-0.2	1184
0.2-0.3	5201
0.3-0.4	9055
0.4-0.5	11546
0.5-0.6	3027
0.6-0.7	570
0.7-0.8	45
0.8-0.85	15
0.85-0.9	0
0.9-0.95	1
0.95-1	4

Similarity Score	Similarity Level	Natural Product ID
0.9937	High Similarity	NPC474081
0.9936	High Similarity	NPC475594
0.975	High Similarity	NPC474041
0.975	High Similarity	NPC475761
0.9226	High Similarity	NPC473815
0.843	Intermediate Similarity	NPC475685
0.8304	Intermediate Similarity	NPC470548
0.8274	Intermediate Similarity	NPC471130
0.8263	Intermediate Similarity	NPC88970
0.8192	Intermediate Similarity	NPC150308
0.8156	Intermediate Similarity	NPC471195
0.8156	Intermediate Similarity	NPC471196
0.8155	Intermediate Similarity	NPC476231
0.8132	Intermediate Similarity	NPC472540
0.8132	Intermediate Similarity	NPC472539
0.8132	Intermediate Similarity	NPC470787
0.8087	Intermediate Similarity	NPC472541
0.8087	Intermediate Similarity	NPC472542
0.805	Intermediate Similarity	NPC207554
0.8021	Intermediate Similarity	NPC295548
0.7989	Intermediate Similarity	NPC470786
0.7937	Intermediate Similarity	NPC225400
0.7895	Intermediate Similarity	NPC471155
0.7895	Intermediate Similarity	NPC472538
0.7853	Intermediate Similarity	NPC270241
0.7688	Intermediate Similarity	NPC300299
0.7654	Intermediate Similarity	NPC83214
0.7651	Intermediate Similarity	NPC324445
0.7622	Intermediate Similarity	NPC92803
0.7609	Intermediate Similarity	NPC18890
0.7588	Intermediate Similarity	NPC295021
0.7572	Intermediate Similarity	NPC27904
0.756	Intermediate Similarity	NPC237649
0.756	Intermediate Similarity	NPC300596
0.7543	Intermediate Similarity	NPC471124
0.75	Intermediate Similarity	NPC248601
0.745	Intermediate Similarity	NPC15384
0.745	Intermediate Similarity	NPC244425
0.7414	Intermediate Similarity	NPC471122
0.7414	Intermediate Similarity	NPC154478
0.7374	Intermediate Similarity	NPC355
0.7363	Intermediate Similarity	NPC471197
0.733	Intermediate Similarity	NPC471199
0.7329	Intermediate Similarity	NPC316746
0.7327	Intermediate Similarity	NPC471198
0.7326	Intermediate Similarity	NPC221873
0.731	Intermediate Similarity	NPC144691
0.731	Intermediate Similarity	NPC285192
0.7299	Intermediate Similarity	NPC84317
0.7288	Intermediate Similarity	NPC189116
0.7284	Intermediate Similarity	NPC207428
0.7254	Intermediate Similarity	NPC106118
0.7253	Intermediate Similarity	NPC471743
0.7225	Intermediate Similarity	NPC198401
0.7186	Intermediate Similarity	NPC472243
0.7143	Intermediate Similarity	NPC2823
0.7095	Intermediate Similarity	NPC204867
0.7092	Intermediate Similarity	NPC471944
0.7086	Intermediate Similarity	NPC471132
0.7083	Intermediate Similarity	NPC315051
0.7017	Intermediate Similarity	NPC182131
0.7	Intermediate Similarity	NPC113056
0.7	Intermediate Similarity	NPC138293
0.7	Intermediate Similarity	NPC472241
0.7	Intermediate Similarity	NPC243850
0.6995	Remote Similarity	NPC318183
0.6981	Remote Similarity	NPC257490
0.6968	Remote Similarity	NPC470317
0.6964	Remote Similarity	NPC122553
0.6957	Remote Similarity	NPC177261
0.6951	Remote Similarity	NPC226662
0.6941	Remote Similarity	NPC471574
0.6915	Remote Similarity	NPC16249
0.689	Remote Similarity	NPC150863
0.6886	Remote Similarity	NPC253476
0.6879	Remote Similarity	NPC472242
0.6866	Remote Similarity	NPC471191
0.686	Remote Similarity	NPC308197
0.6857	Remote Similarity	NPC242000
0.6857	Remote Similarity	NPC220851
0.6855	Remote Similarity	NPC177684
0.6855	Remote Similarity	NPC291962
0.6851	Remote Similarity	NPC472117
0.6848	Remote Similarity	NPC314431
0.6842	Remote Similarity	NPC43477
0.6842	Remote Similarity	NPC471742
0.6842	Remote Similarity	NPC203635
0.6832	Remote Similarity	NPC39818
0.6831	Remote Similarity	NPC472114
0.6831	Remote Similarity	NPC472115
0.6829	Remote Similarity	NPC153980
0.6829	Remote Similarity	NPC6865
0.6821	Remote Similarity	NPC136002
0.6813	Remote Similarity	NPC161956
0.6813	Remote Similarity	NPC258531
0.6813	Remote Similarity	NPC112373
0.6813	Remote Similarity	NPC313757
0.68	Remote Similarity	NPC254798
0.6789	Remote Similarity	NPC243058
0.6786	Remote Similarity	NPC184437
0.678	Remote Similarity	NPC72956
0.6778	Remote Similarity	NPC104345
0.6772	Remote Similarity	NPC88110
0.6757	Remote Similarity	NPC472118
0.6753	Remote Similarity	NPC313293
0.6747	Remote Similarity	NPC194562
0.6747	Remote Similarity	NPC280807
0.6747	Remote Similarity	NPC472245
0.6744	Remote Similarity	NPC471164
0.6743	Remote Similarity	NPC478039
0.6742	Remote Similarity	NPC117032
0.6733	Remote Similarity	NPC314648
0.6731	Remote Similarity	NPC471192
0.6724	Remote Similarity	NPC314186
0.672	Remote Similarity	NPC475094
0.6708	Remote Similarity	NPC179605
0.6708	Remote Similarity	NPC279385
0.6707	Remote Similarity	NPC314098
0.6703	Remote Similarity	NPC93653
0.6702	Remote Similarity	NPC129624
0.6687	Remote Similarity	NPC209389
0.6687	Remote Similarity	NPC254698
0.6686	Remote Similarity	NPC242933
0.6685	Remote Similarity	NPC154602
0.6684	Remote Similarity	NPC90415
0.6684	Remote Similarity	NPC298320
0.6667	Remote Similarity	NPC471194
0.6667	Remote Similarity	NPC469915
0.6667	Remote Similarity	NPC14849
0.6667	Remote Similarity	NPC471193
0.6667	Remote Similarity	NPC285923
0.6667	Remote Similarity	NPC103292
0.6667	Remote Similarity	NPC114808
0.6667	Remote Similarity	NPC21429
0.6649	Remote Similarity	NPC279527
0.6649	Remote Similarity	NPC278887
0.6649	Remote Similarity	NPC214960
0.6648	Remote Similarity	NPC285381
0.6648	Remote Similarity	NPC259678
0.6646	Remote Similarity	NPC226143
0.6618	Remote Similarity	NPC314855
0.6618	Remote Similarity	NPC313345
0.6618	Remote Similarity	NPC315638
0.6618	Remote Similarity	NPC313796
0.6612	Remote Similarity	NPC143457
0.6607	Remote Similarity	NPC231382
0.6606	Remote Similarity	NPC470343
0.6606	Remote Similarity	NPC472244
0.6606	Remote Similarity	NPC205946
0.66	Remote Similarity	NPC474916
0.6597	Remote Similarity	NPC39822
0.6597	Remote Similarity	NPC85613
0.6596	Remote Similarity	NPC96901
0.6595	Remote Similarity	NPC299582
0.6593	Remote Similarity	NPC113946
0.6585	Remote Similarity	NPC478075
0.6585	Remote Similarity	NPC315545
0.6585	Remote Similarity	NPC314297
0.6579	Remote Similarity	NPC219848
0.6576	Remote Similarity	NPC293458
0.6576	Remote Similarity	NPC199737
0.6571	Remote Similarity	NPC322064
0.657	Remote Similarity	NPC314834
0.6564	Remote Similarity	NPC206186
0.6561	Remote Similarity	NPC328611
0.6561	Remote Similarity	NPC248862
0.6557	Remote Similarity	NPC36495
0.6552	Remote Similarity	NPC316202
0.6546	Remote Similarity	NPC322621
0.6546	Remote Similarity	NPC476341
0.6545	Remote Similarity	NPC256268
0.6545	Remote Similarity	NPC131450
0.6545	Remote Similarity	NPC182057
0.6545	Remote Similarity	NPC147298
0.6544	Remote Similarity	NPC471762
0.6543	Remote Similarity	NPC292265
0.6538	Remote Similarity	NPC29285
0.6532	Remote Similarity	NPC181527
0.6524	Remote Similarity	NPC268534
0.6522	Remote Similarity	NPC322644
0.6522	Remote Similarity	NPC315368
0.6508	Remote Similarity	NPC307640
0.6505	Remote Similarity	NPC470069
0.6505	Remote Similarity	NPC52059
0.6503	Remote Similarity	NPC211525
0.6503	Remote Similarity	NPC153694
0.6503	Remote Similarity	NPC130931
0.6498	Remote Similarity	NPC257851
0.6498	Remote Similarity	NPC157931
0.6497	Remote Similarity	NPC45389
0.6495	Remote Similarity	NPC245741
0.6495	Remote Similarity	NPC470003
0.6495	Remote Similarity	NPC97584
0.6494	Remote Similarity	NPC204156
0.6489	Remote Similarity	NPC471943
0.6488	Remote Similarity	NPC122235
0.6488	Remote Similarity	NPC259098
0.6488	Remote Similarity	NPC197680
0.6486	Remote Similarity	NPC133470
0.6486	Remote Similarity	NPC191863

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC475607 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	546
0.2-0.3	739
0.3-0.4	1121
0.4-0.5	3027
0.5-0.6	2902
0.6-0.7	625
0.7-0.8	27
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
0.7722	Intermediate Similarity	NPD1919	Approved
0.7722	Intermediate Similarity	NPD1920	Approved
0.7697	Intermediate Similarity	NPD6017	Discontinued
0.768	Intermediate Similarity	NPD5923	Phase 1
0.7527	Intermediate Similarity	NPD5042	Phase 1
0.7472	Intermediate Similarity	NPD1165	Clinical (unspecified phase)
0.7469	Intermediate Similarity	NPD2791	Discontinued
0.7456	Intermediate Similarity	NPD4939	Clinical (unspecified phase)
0.7365	Intermediate Similarity	NPD4430	Phase 2
0.7353	Intermediate Similarity	NPD4942	Approved
0.7351	Intermediate Similarity	NPD6557	Phase 2
0.7273	Intermediate Similarity	NPD4515	Suspended
0.7251	Intermediate Similarity	NPD4888	Discontinued
0.724	Intermediate Similarity	NPD5515	Phase 2
0.7204	Intermediate Similarity	NPD4412	Phase 2
0.7202	Intermediate Similarity	NPD5856	Discontinued
0.7194	Intermediate Similarity	NPD3802	Phase 3
0.716	Intermediate Similarity	NPD1625	Approved
0.716	Intermediate Similarity	NPD2820	Phase 3
0.7134	Intermediate Similarity	NPD1541	Approved
0.711	Intermediate Similarity	NPD2737	Clinical (unspecified phase)
0.7101	Intermediate Similarity	NPD2365	Approved
0.7062	Intermediate Similarity	NPD5715	Clinical (unspecified phase)
0.7044	Intermediate Similarity	NPD3780	Phase 2
0.7035	Intermediate Similarity	NPD1524	Phase 1
0.7031	Intermediate Similarity	NPD5937	Approved
0.7006	Intermediate Similarity	NPD6855	Clinical (unspecified phase)
0.6989	Remote Similarity	NPD3239	Clinical (unspecified phase)
0.695	Remote Similarity	NPD6260	Discontinued
0.6949	Remote Similarity	NPD7072	Phase 2
0.6923	Remote Similarity	NPD1626	Approved
0.6914	Remote Similarity	NPD5748	Phase 2
0.6911	Remote Similarity	NPD4988	Discontinued
0.6902	Remote Similarity	NPD3776	Discontinued
0.6901	Remote Similarity	NPD1189	Approved
0.6893	Remote Similarity	NPD5086	Approved
0.6889	Remote Similarity	NPD2506	Approved
0.6875	Remote Similarity	NPD3277	Phase 3
0.6857	Remote Similarity	NPD4161	Discontinued
0.6848	Remote Similarity	NPD3376	Clinical (unspecified phase)
0.6847	Remote Similarity	NPD5594	Approved
0.6847	Remote Similarity	NPD5593	Approved
0.6833	Remote Similarity	NPD4393	Approved
0.6833	Remote Similarity	NPD33	Approved
0.6824	Remote Similarity	NPD6655	Clinical (unspecified phase)
0.6816	Remote Similarity	NPD6396	Clinical (unspecified phase)
0.6816	Remote Similarity	NPD6395	Phase 2
0.6809	Remote Similarity	NPD3782	Discontinued
0.6806	Remote Similarity	NPD6163	Clinical (unspecified phase)
0.6791	Remote Similarity	NPD8022	Clinical (unspecified phase)
0.6788	Remote Similarity	NPD7855	Clinical (unspecified phase)
0.6778	Remote Similarity	NPD7011	Discontinued
0.6772	Remote Similarity	NPD4330	Approved
0.6772	Remote Similarity	NPD4329	Approved
0.6772	Remote Similarity	NPD3227	Phase 2
0.6768	Remote Similarity	NPD1593	Approved
0.6763	Remote Similarity	NPD4464	Clinical (unspecified phase)
0.6757	Remote Similarity	NPD2369	Discontinued
0.6755	Remote Similarity	NPD3792	Approved
0.6755	Remote Similarity	NPD3755	Clinical (unspecified phase)
0.6746	Remote Similarity	NPD2331	Discontinued
0.6744	Remote Similarity	NPD9477	Approved
0.6742	Remote Similarity	NPD3248	Phase 1
0.674	Remote Similarity	NPD2427	Approved
0.6738	Remote Similarity	NPD7449	Clinical (unspecified phase)
0.6737	Remote Similarity	NPD3990	Phase 3
0.6736	Remote Similarity	NPD4948	Discontinued
0.6736	Remote Similarity	NPD8103	Clinical (unspecified phase)
0.6734	Remote Similarity	NPD5882	Clinical (unspecified phase)
0.6731	Remote Similarity	NPD7439	Clinical (unspecified phase)
0.6726	Remote Similarity	NPD1527	Phase 2
0.6722	Remote Similarity	NPD951	Approved
0.6718	Remote Similarity	NPD2336	Approved
0.6718	Remote Similarity	NPD5592	Clinical (unspecified phase)
0.6718	Remote Similarity	NPD5504	Discontinued
0.6717	Remote Similarity	NPD5591	Approved
0.6716	Remote Similarity	NPD6487	Approved
0.6716	Remote Similarity	NPD6486	Approved
0.6716	Remote Similarity	NPD7232	Discontinued
0.6704	Remote Similarity	NPD2790	Discontinued
0.6703	Remote Similarity	NPD2037	Approved
0.6699	Remote Similarity	NPD6567	Clinical (unspecified phase)
0.6685	Remote Similarity	NPD1230	Approved
0.6685	Remote Similarity	NPD7591	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD7569	Approved
0.6684	Remote Similarity	NPD8146	Phase 2
0.6684	Remote Similarity	NPD5445	Approved
0.6684	Remote Similarity	NPD7570	Approved
0.6684	Remote Similarity	NPD3989	Phase 3
0.6667	Remote Similarity	NPD7225	Discontinued
0.6667	Remote Similarity	NPD979	Approved
0.6667	Remote Similarity	NPD6301	Phase 2
0.6667	Remote Similarity	NPD7587	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD721	Approved
0.6667	Remote Similarity	NPD4092	Approved
0.6649	Remote Similarity	NPD6484	Approved
0.6649	Remote Similarity	NPD7662	Clinical (unspecified phase)
0.6649	Remote Similarity	NPD5637	Discontinued
0.6649	Remote Similarity	NPD6483	Approved
0.6648	Remote Similarity	NPD3278	Clinical (unspecified phase)
0.6647	Remote Similarity	NPD3434	Clinical (unspecified phase)
0.6647	Remote Similarity	NPD2919	Clinical (unspecified phase)
0.6647	Remote Similarity	NPD2918	Clinical (unspecified phase)
0.6636	Remote Similarity	NPD6247	Clinical (unspecified phase)
0.6634	Remote Similarity	NPD3774	Approved
0.6634	Remote Similarity	NPD3773	Approved
0.6634	Remote Similarity	NPD3775	Approved
0.6629	Remote Similarity	NPD5546	Clinical (unspecified phase)
0.6627	Remote Similarity	NPD1874	Clinical (unspecified phase)
0.6627	Remote Similarity	NPD1595	Approved
0.6627	Remote Similarity	NPD1594	Phase 3
0.6615	Remote Similarity	NPD6608	Clinical (unspecified phase)
0.6614	Remote Similarity	NPD5603	Clinical (unspecified phase)
0.6614	Remote Similarity	NPD4091	Approved
0.6613	Remote Similarity	NPD2404	Discontinued
0.6612	Remote Similarity	NPD4311	Approved
0.6609	Remote Similarity	NPD6414	Clinical (unspecified phase)
0.6609	Remote Similarity	NPD6566	Discontinued
0.66	Remote Similarity	NPD4987	Clinical (unspecified phase)
0.6598	Remote Similarity	NPD3315	Phase 3
0.6597	Remote Similarity	NPD6878	Phase 2
0.6597	Remote Similarity	NPD6879	Phase 2
0.6595	Remote Similarity	NPD7793	Clinical (unspecified phase)
0.6595	Remote Similarity	NPD5430	Discontinued
0.6593	Remote Similarity	NPD212	Discontinued
0.6593	Remote Similarity	NPD7735	Clinical (unspecified phase)
0.659	Remote Similarity	NPD6199	Discontinued
0.6588	Remote Similarity	NPD7878	Phase 2
0.6583	Remote Similarity	NPD2307	Discontinued
0.6578	Remote Similarity	NPD7795	Phase 2
0.6576	Remote Similarity	NPD4871	Phase 2
0.657	Remote Similarity	NPD6204	Clinical (unspecified phase)
0.6569	Remote Similarity	NPD3947	Discontinued
0.6567	Remote Similarity	NPD8050	Clinical (unspecified phase)
0.6561	Remote Similarity	NPD3423	Phase 2
0.6561	Remote Similarity	NPD3522	Approved
0.6561	Remote Similarity	NPD3422	Phase 3
0.6558	Remote Similarity	NPD7269	Clinical (unspecified phase)
0.6557	Remote Similarity	NPD4514	Approved
0.655	Remote Similarity	NPD2470	Clinical (unspecified phase)
0.6548	Remote Similarity	NPD1271	Clinical (unspecified phase)
0.6545	Remote Similarity	NPD3997	Approved
0.6545	Remote Similarity	NPD3998	Approved
0.6545	Remote Similarity	NPD1640	Clinical (unspecified phase)
0.6545	Remote Similarity	NPD3999	Approved
0.6543	Remote Similarity	NPD2432	Approved
0.6543	Remote Similarity	NPD2431	Approved
0.6541	Remote Similarity	NPD1631	Approved
0.654	Remote Similarity	NPD2812	Clinical (unspecified phase)
0.654	Remote Similarity	NPD2813	Phase 3
0.654	Remote Similarity	NPD3949	Clinical (unspecified phase)
0.6534	Remote Similarity	NPD2387	Approved
0.6534	Remote Similarity	NPD5918	Discontinued
0.6531	Remote Similarity	NPD4334	Discontinued
0.6529	Remote Similarity	NPD6740	Clinical (unspecified phase)
0.6529	Remote Similarity	NPD7086	Phase 2
0.6529	Remote Similarity	NPD2949	Approved
0.6529	Remote Similarity	NPD2950	Approved
0.6528	Remote Similarity	NPD7186	Phase 3
0.6526	Remote Similarity	NPD2083	Clinical (unspecified phase)
0.6524	Remote Similarity	NPD2454	Approved
0.6524	Remote Similarity	NPD4562	Clinical (unspecified phase)
0.6524	Remote Similarity	NPD2455	Approved
0.6519	Remote Similarity	NPD3229	Phase 2
0.6517	Remote Similarity	NPD7088	Discontinued
0.6514	Remote Similarity	NPD6768	Approved
0.6512	Remote Similarity	NPD6817	Clinical (unspecified phase)
0.6509	Remote Similarity	NPD1619	Phase 3
0.6509	Remote Similarity	NPD4300	Clinical (unspecified phase)
0.6508	Remote Similarity	NPD5997	Discontinued
0.6508	Remote Similarity	NPD3377	Discontinued
0.6506	Remote Similarity	NPD1574	Approved
0.6506	Remote Similarity	NPD6320	Approved
0.6502	Remote Similarity	NPD7560	Approved
0.6502	Remote Similarity	NPD7566	Clinical (unspecified phase)
0.6497	Remote Similarity	NPD5933	Phase 3
0.6497	Remote Similarity	NPD5931	Phase 3
0.6497	Remote Similarity	NPD5932	Phase 3
0.6494	Remote Similarity	NPD3391	Approved
0.6493	Remote Similarity	NPD6733	Discontinued
0.6492	Remote Similarity	NPD3996	Approved
0.6492	Remote Similarity	NPD3993	Approved
0.6492	Remote Similarity	NPD3995	Approved
0.6492	Remote Similarity	NPD3994	Approved
0.6492	Remote Similarity	NPD3991	Approved
0.6492	Remote Similarity	NPD3992	Approved
0.649	Remote Similarity	NPD5860	Discontinued
0.6488	Remote Similarity	NPD5901	Discontinued
0.6485	Remote Similarity	NPD5608	Approved
0.6485	Remote Similarity	NPD478	Approved
0.6485	Remote Similarity	NPD5609	Approved
0.6484	Remote Similarity	NPD1514	Discontinued
0.6484	Remote Similarity	NPD7552	Discontinued
0.6484	Remote Similarity	NPD7463	Clinical (unspecified phase)
0.6478	Remote Similarity	NPD1175	Approved
0.6477	Remote Similarity	NPD3470	Approved
0.6477	Remote Similarity	NPD3471	Approved
0.6474	Remote Similarity	NPD4077	Clinical (unspecified phase)
0.6474	Remote Similarity	NPD5466	Approved
0.6474	Remote Similarity	NPD5919	Clinical (unspecified phase)

Structure

NPC475607 OpenBabel07101719252D 30 33 0 0 1 0 0 0 0 0999 V2000 4.7553 3.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0121 3.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0611 3.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3179 4.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3669 3.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6237 4.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3273 4.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9401 -0.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3523 -1.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5352 3.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5334 0.3955 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 -1.3578 -1.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6942 1.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4863 2.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5388 0.5000 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 -0.9511 -0.3090 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 0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9511 1.3090 0.0000 C 0 0 3 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 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2294 3.6254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7431 2.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 12 18 1 0 0 0 0 13 19 2 0 0 0 0 14 20 2 0 0 0 0 15 21 2 0 0 0 0 16 22 2 0 0 0 0 17 18 1 0 0 0 0 17 25 1 0 0 0 0 18 28 2 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 22 27 1 0 0 0 0 23 27 1 0 0 0 0 23 29 2 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 30 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	24970646
ChEMBL	CHEMBL509181
ZINC

Physicochemical Properties

Molecular Weight:	404.21
ALogP:	-3.2162
MLogP:	3.66
XLogP:	6.635
# Rotatable Bonds:	11
Polar Surface Area:	69.97
# H-Bond Aceptor:	5
# H-Bond Donor:	1
# Rings:	4
# Heavy Atoms:	30

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