NPASS Natural Product

Natural Product: NPC475619

Natural Product ID:	NPC475619
Common Name:	n.a.
IUPAC Name:
Synonyms:	(10S)-Hydroxypheophytin A
Molecular Formula:	C55H74N4O6
Standard InCHIKey:	FXEQZWHMONOEMA-NHQODRBHSA-N
Standard InCHI:	InChI=1S/C55H74N4O6/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)65-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)51(58-44)50-52-49(53(61)55(50,63)54(62)64-12)38(11)45(59-52)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,56,59,63H,1,14-25,27H2,2-12H3/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,51-50+/t32?,33?,37-,41-,55-/m0/s1
Canonical SMILES:	CCC1=C(C)C2=N/C/1=Cc1[nH]c3c(c1C)C(=O)[C@](/C/3=C1/N=C(/C=c/3[nH]/c(=C2)/c(C=C)c3C)[C@H]([C@@H]1CCC(=O)OC/C=C(/CCCC(CCCC(CCCC(C)C)C)C)C)C)(O)C(=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
NPO8063	Clerodendrum calamitosum	Species	Lamiaceae	Eukaryota				PMID[11473423]
NPO14864	Clerodendrum cyrtophyllum	Species	Lamiaceae	Eukaryota				PMID[11473423]

Biological Activity

Activity Type	# Activity
ED50	7

Activity Type	# Activity
Cell Line	6
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		ED50	=	19	ug/ml	23999046
NPT91	Cell Line	KB	Homo sapiens	ED50	=	12	ug/ml	23999046
NPT180	Cell Line	HCT-8	Homo sapiens	ED50	=	14	ug/ml	23999046
NPT916	Cell Line	SK-MEL	Homo sapiens	ED50	=	14	ug/ml	23999046
NPT81	Cell Line	A549	Homo sapiens	ED50	=	15	ug/ml	23999046
NPT83	Cell Line	MCF7	Homo sapiens	ED50	=	8.8	ug/ml	23999046
NPT309	Cell Line	1A9	Homo sapiens	ED50	=	22	ug/ml	10395514

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 NPC475619 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	285
0.1-0.2	1536
0.2-0.3	6507
0.3-0.4	12103
0.4-0.5	7945
0.5-0.6	1768
0.6-0.7	731
0.7-0.8	7
0.8-0.85	1
0.85-0.9	4
0.9-0.95	0
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9807	High Similarity	NPC268676
0.9807	High Similarity	NPC27324
0.8986	High Similarity	NPC187255
0.8863	High Similarity	NPC85702
0.8841	High Similarity	NPC257175
0.872	High Similarity	NPC473493
0.8454	Intermediate Similarity	NPC195457
0.7373	Intermediate Similarity	NPC67551
0.7348	Intermediate Similarity	NPC249428
0.7273	Intermediate Similarity	NPC287795
0.7198	Intermediate Similarity	NPC312645
0.7174	Intermediate Similarity	NPC12344
0.7069	Intermediate Similarity	NPC89508
0.7043	Intermediate Similarity	NPC469743
0.6987	Remote Similarity	NPC233727
0.6972	Remote Similarity	NPC165964
0.6957	Remote Similarity	NPC244741
0.6936	Remote Similarity	NPC36405
0.6935	Remote Similarity	NPC470843
0.6935	Remote Similarity	NPC94541
0.693	Remote Similarity	NPC123019
0.6917	Remote Similarity	NPC476818
0.691	Remote Similarity	NPC82370
0.69	Remote Similarity	NPC134848
0.6894	Remote Similarity	NPC474412
0.689	Remote Similarity	NPC131273
0.689	Remote Similarity	NPC473441
0.6883	Remote Similarity	NPC314297
0.6883	Remote Similarity	NPC315545
0.688	Remote Similarity	NPC235900
0.6877	Remote Similarity	NPC14812
0.687	Remote Similarity	NPC132539
0.687	Remote Similarity	NPC314648
0.6867	Remote Similarity	NPC314834
0.6862	Remote Similarity	NPC2395
0.6846	Remote Similarity	NPC235885
0.6842	Remote Similarity	NPC214428
0.6842	Remote Similarity	NPC15801
0.684	Remote Similarity	NPC313796
0.684	Remote Similarity	NPC313345
0.684	Remote Similarity	NPC315638
0.684	Remote Similarity	NPC314855
0.6835	Remote Similarity	NPC96131
0.6833	Remote Similarity	NPC160381
0.6831	Remote Similarity	NPC33949
0.6828	Remote Similarity	NPC67288
0.6826	Remote Similarity	NPC165599
0.6825	Remote Similarity	NPC26491
0.6824	Remote Similarity	NPC284102
0.6822	Remote Similarity	NPC471284
0.6803	Remote Similarity	NPC471634
0.6803	Remote Similarity	NPC473806
0.6802	Remote Similarity	NPC57453
0.6798	Remote Similarity	NPC241024
0.6793	Remote Similarity	NPC207531
0.6789	Remote Similarity	NPC70155
0.6787	Remote Similarity	NPC471583
0.6787	Remote Similarity	NPC471782
0.6786	Remote Similarity	NPC178858
0.6776	Remote Similarity	NPC46359
0.6771	Remote Similarity	NPC221873
0.6767	Remote Similarity	NPC18661
0.6767	Remote Similarity	NPC277350
0.6765	Remote Similarity	NPC472285
0.6756	Remote Similarity	NPC55493
0.675	Remote Similarity	NPC276657
0.6747	Remote Similarity	NPC278540
0.6746	Remote Similarity	NPC311451
0.6736	Remote Similarity	NPC187494
0.6736	Remote Similarity	NPC319556
0.6736	Remote Similarity	NPC229893
0.6734	Remote Similarity	NPC473187
0.6729	Remote Similarity	NPC326479
0.6723	Remote Similarity	NPC193361
0.6723	Remote Similarity	NPC62844
0.6721	Remote Similarity	NPC238278
0.672	Remote Similarity	NPC253482
0.6711	Remote Similarity	NPC141454
0.6709	Remote Similarity	NPC39679
0.6708	Remote Similarity	NPC141428
0.6706	Remote Similarity	NPC475648
0.6695	Remote Similarity	NPC470189
0.6695	Remote Similarity	NPC40919
0.6694	Remote Similarity	NPC35208
0.6682	Remote Similarity	NPC191310
0.6681	Remote Similarity	NPC131887
0.668	Remote Similarity	NPC475424
0.668	Remote Similarity	NPC79107
0.668	Remote Similarity	NPC61813
0.6679	Remote Similarity	NPC237901
0.6679	Remote Similarity	NPC195788
0.6667	Remote Similarity	NPC476467
0.6653	Remote Similarity	NPC3207
0.6653	Remote Similarity	NPC57690
0.6653	Remote Similarity	NPC74969
0.6652	Remote Similarity	NPC267343
0.664	Remote Similarity	NPC282033
0.6639	Remote Similarity	NPC74360
0.6639	Remote Similarity	NPC31700
0.6638	Remote Similarity	NPC127677
0.6638	Remote Similarity	NPC258062
0.6638	Remote Similarity	NPC470190
0.6638	Remote Similarity	NPC137589
0.6637	Remote Similarity	NPC138370
0.6628	Remote Similarity	NPC329982
0.6627	Remote Similarity	NPC107836
0.6624	Remote Similarity	NPC87413
0.6614	Remote Similarity	NPC473565
0.6612	Remote Similarity	NPC174760
0.6611	Remote Similarity	NPC477979
0.6611	Remote Similarity	NPC473650
0.6611	Remote Similarity	NPC160527
0.661	Remote Similarity	NPC472752
0.6609	Remote Similarity	NPC317572
0.6609	Remote Similarity	NPC102008
0.6598	Remote Similarity	NPC147446
0.6597	Remote Similarity	NPC219087
0.6597	Remote Similarity	NPC151976
0.6597	Remote Similarity	NPC87856
0.6596	Remote Similarity	NPC46225
0.6596	Remote Similarity	NPC225821
0.6593	Remote Similarity	NPC154339
0.6585	Remote Similarity	NPC146824
0.6583	Remote Similarity	NPC132211
0.6583	Remote Similarity	NPC203614
0.6583	Remote Similarity	NPC204491
0.6582	Remote Similarity	NPC303951
0.6581	Remote Similarity	NPC260909
0.6579	Remote Similarity	NPC269886
0.6579	Remote Similarity	NPC472295
0.6579	Remote Similarity	NPC81802
0.6579	Remote Similarity	NPC472210
0.6579	Remote Similarity	NPC247735
0.6578	Remote Similarity	NPC278434
0.6573	Remote Similarity	NPC292416
0.6573	Remote Similarity	NPC473689
0.6573	Remote Similarity	NPC267853
0.6573	Remote Similarity	NPC290529
0.657	Remote Similarity	NPC242446
0.657	Remote Similarity	NPC475476
0.6569	Remote Similarity	NPC317752
0.6569	Remote Similarity	NPC229348
0.6569	Remote Similarity	NPC472291
0.6567	Remote Similarity	NPC314254
0.6567	Remote Similarity	NPC313966
0.6565	Remote Similarity	NPC227582
0.6561	Remote Similarity	NPC475844
0.656	Remote Similarity	NPC94428
0.656	Remote Similarity	NPC475406
0.656	Remote Similarity	NPC475426
0.656	Remote Similarity	NPC263937
0.6559	Remote Similarity	NPC475362
0.6555	Remote Similarity	NPC23294
0.6555	Remote Similarity	NPC250129
0.6552	Remote Similarity	NPC252338
0.6552	Remote Similarity	NPC258048
0.655	Remote Similarity	NPC473800
0.655	Remote Similarity	NPC474121
0.655	Remote Similarity	NPC181081
0.655	Remote Similarity	NPC202812
0.6546	Remote Similarity	NPC319880
0.6546	Remote Similarity	NPC244839
0.6546	Remote Similarity	NPC320324
0.6546	Remote Similarity	NPC244897
0.6546	Remote Similarity	NPC213143
0.6545	Remote Similarity	NPC84347
0.6543	Remote Similarity	NPC150239
0.6542	Remote Similarity	NPC97388
0.654	Remote Similarity	NPC271862
0.6534	Remote Similarity	NPC38959
0.6534	Remote Similarity	NPC327904
0.6533	Remote Similarity	NPC99428
0.6529	Remote Similarity	NPC264285
0.6527	Remote Similarity	NPC323551
0.6527	Remote Similarity	NPC475778
0.6527	Remote Similarity	NPC318299
0.6527	Remote Similarity	NPC280473
0.6525	Remote Similarity	NPC321428
0.6524	Remote Similarity	NPC471944
0.6522	Remote Similarity	NPC472293
0.652	Remote Similarity	NPC323752
0.652	Remote Similarity	NPC323198
0.652	Remote Similarity	NPC237702
0.6518	Remote Similarity	NPC478078
0.6513	Remote Similarity	NPC475165
0.6513	Remote Similarity	NPC234999
0.6513	Remote Similarity	NPC478083
0.6509	Remote Similarity	NPC472296
0.6509	Remote Similarity	NPC74413
0.6509	Remote Similarity	NPC472297
0.6507	Remote Similarity	NPC192306
0.6504	Remote Similarity	NPC471979
0.65	Remote Similarity	NPC51008
0.65	Remote Similarity	NPC165837
0.65	Remote Similarity	NPC473547
0.65	Remote Similarity	NPC41724
0.6496	Remote Similarity	NPC474116
0.6496	Remote Similarity	NPC260900
0.6496	Remote Similarity	NPC162730
0.6496	Remote Similarity	NPC193761

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC475619 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	225
0.1-0.2	632
0.2-0.3	960
0.3-0.4	2441
0.4-0.5	3198
0.5-0.6	1471
0.6-0.7	218
0.7-0.8	11
0.8-0.85	3
0.85-0.9	1
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9043	High Similarity	NPD8160	Phase 2
0.8756	High Similarity	NPD7941	Phase 3
0.8287	Intermediate Similarity	NPD8097	Phase 3
0.8287	Intermediate Similarity	NPD8096	Phase 3
0.8104	Intermediate Similarity	NPD7946	Pre-registration
0.7963	Intermediate Similarity	NPD8098	Approved
0.7963	Intermediate Similarity	NPD56	Approved
0.7963	Intermediate Similarity	NPD8283	Approved
0.7963	Intermediate Similarity	NPD8282	Approved
0.7854	Intermediate Similarity	NPD8399	Phase 1
0.7854	Intermediate Similarity	NPD8423	Phase 2
0.7464	Intermediate Similarity	NPD7865	Approved
0.7085	Intermediate Similarity	NPD5003	Discontinued
0.7043	Intermediate Similarity	NPD4506	Discontinued
0.7021	Intermediate Similarity	NPD7878	Phase 2
0.7014	Intermediate Similarity	NPD2844	Phase 3
0.6977	Remote Similarity	NPD7869	Discontinued
0.6953	Remote Similarity	NPD6657	Clinical (unspecified phase)
0.6857	Remote Similarity	NPD4373	Phase 2
0.6854	Remote Similarity	NPD7866	Approved
0.6853	Remote Similarity	NPD2509	Approved
0.6853	Remote Similarity	NPD2510	Approved
0.6816	Remote Similarity	NPD2564	Approved
0.6816	Remote Similarity	NPD2565	Phase 2
0.6798	Remote Similarity	NPD8395	Approved
0.6798	Remote Similarity	NPD8396	Approved
0.6778	Remote Similarity	NPD6770	Approved
0.6767	Remote Similarity	NPD6732	Clinical (unspecified phase)
0.6735	Remote Similarity	NPD4952	Phase 3
0.6729	Remote Similarity	NPD7864	Approved
0.6724	Remote Similarity	NPD3947	Discontinued
0.6707	Remote Similarity	NPD7688	Phase 1
0.6695	Remote Similarity	NPD7470	Discontinued
0.6694	Remote Similarity	NPD6995	Phase 1
0.6679	Remote Similarity	NPD8465	Approved
0.6679	Remote Similarity	NPD8429	Approved
0.6679	Remote Similarity	NPD8467	Approved
0.6679	Remote Similarity	NPD8428	Approved
0.6679	Remote Similarity	NPD8427	Approved
0.6679	Remote Similarity	NPD8466	Approved
0.6653	Remote Similarity	NPD6292	Clinical (unspecified phase)
0.6651	Remote Similarity	NPD7863	Approved
0.664	Remote Similarity	NPD6962	Phase 2
0.6626	Remote Similarity	NPD6160	Clinical (unspecified phase)
0.6624	Remote Similarity	NPD7001	Phase 3
0.6624	Remote Similarity	NPD4901	Clinical (unspecified phase)
0.6609	Remote Similarity	NPD7778	Approved
0.6609	Remote Similarity	NPD2121	Clinical (unspecified phase)
0.6609	Remote Similarity	NPD7777	Approved
0.6609	Remote Similarity	NPD53	Approved
0.6583	Remote Similarity	NPD3394	Approved
0.6583	Remote Similarity	NPD3393	Approved
0.6583	Remote Similarity	NPD3389	Approved
0.6581	Remote Similarity	NPD8426	Approved
0.6581	Remote Similarity	NPD8460	Approved
0.6581	Remote Similarity	NPD8425	Approved
0.6581	Remote Similarity	NPD8459	Approved
0.6569	Remote Similarity	NPD3795	Approved
0.6569	Remote Similarity	NPD3794	Approved
0.6564	Remote Similarity	NPD5592	Clinical (unspecified phase)
0.6538	Remote Similarity	NPD2920	Discontinued
0.6537	Remote Similarity	NPD4987	Clinical (unspecified phase)
0.6511	Remote Similarity	NPD5901	Discontinued
0.6504	Remote Similarity	NPD4948	Discontinued
0.6483	Remote Similarity	NPD8403	Phase 1
0.6468	Remote Similarity	NPD6176	Phase 1
0.6441	Remote Similarity	NPD6641	Approved
0.6441	Remote Similarity	NPD6642	Approved
0.6438	Remote Similarity	NPD7000	Clinical (unspecified phase)
0.6438	Remote Similarity	NPD6248	Phase 2
0.6438	Remote Similarity	NPD3800	Clinical (unspecified phase)
0.6438	Remote Similarity	NPD6999	Discontinued
0.6438	Remote Similarity	NPD6249	Phase 2
0.6432	Remote Similarity	NPD7571	Clinical (unspecified phase)
0.6394	Remote Similarity	NPD8364	Approved
0.6394	Remote Similarity	NPD8363	Approved
0.6393	Remote Similarity	NPD5632	Approved
0.6386	Remote Similarity	NPD4328	Approved
0.6385	Remote Similarity	NPD7769	Phase 3
0.6384	Remote Similarity	NPD8464	Clinical (unspecified phase)
0.6375	Remote Similarity	NPD4900	Clinical (unspecified phase)
0.6371	Remote Similarity	NPD5426	Phase 3
0.6371	Remote Similarity	NPD3925	Approved
0.6364	Remote Similarity	NPD1573	Approved
0.6364	Remote Similarity	NPD1575	Approved
0.636	Remote Similarity	NPD7666	Phase 3
0.636	Remote Similarity	NPD7665	Phase 2
0.6349	Remote Similarity	NPD7070	Clinical (unspecified phase)
0.6347	Remote Similarity	NPD8365	Clinical (unspecified phase)
0.6345	Remote Similarity	NPD4862	Clinical (unspecified phase)
0.6341	Remote Similarity	NPD3280	Approved
0.634	Remote Similarity	NPD4501	Approved
0.634	Remote Similarity	NPD4500	Approved
0.6338	Remote Similarity	NPD7882	Clinical (unspecified phase)
0.6337	Remote Similarity	NPD5417	Clinical (unspecified phase)
0.6337	Remote Similarity	NPD4897	Phase 2
0.6329	Remote Similarity	NPD5487	Phase 1
0.6327	Remote Similarity	NPD5596	Phase 2
0.6325	Remote Similarity	NPD8489	Phase 1
0.6322	Remote Similarity	NPD7605	Discovery
0.6322	Remote Similarity	NPD4852	Phase 2
0.6316	Remote Similarity	NPD7708	Approved
0.6311	Remote Similarity	NPD6733	Discontinued
0.6304	Remote Similarity	NPD4499	Approved
0.6303	Remote Similarity	NPD2721	Clinical (unspecified phase)
0.6285	Remote Similarity	NPD6263	Clinical (unspecified phase)
0.6283	Remote Similarity	NPD7803	Approved
0.6283	Remote Similarity	NPD3178	Discontinued
0.6281	Remote Similarity	NPD5475	Discontinued
0.6281	Remote Similarity	NPD5416	Discontinued
0.6277	Remote Similarity	NPD3785	Clinical (unspecified phase)
0.6276	Remote Similarity	NPD2715	Clinical (unspecified phase)
0.6271	Remote Similarity	NPD4600	Approved
0.6271	Remote Similarity	NPD4601	Approved
0.627	Remote Similarity	NPD5293	Phase 2
0.627	Remote Similarity	NPD7589	Clinical (unspecified phase)
0.627	Remote Similarity	NPD7707	Approved
0.6267	Remote Similarity	NPD8304	Clinical (unspecified phase)
0.6255	Remote Similarity	NPD6531	Approved
0.6255	Remote Similarity	NPD6530	Approved
0.6245	Remote Similarity	NPD8358	Approved
0.6239	Remote Similarity	NPD1643	Phase 3
0.6234	Remote Similarity	NPD6323	Clinical (unspecified phase)
0.6234	Remote Similarity	NPD6987	Phase 1
0.6231	Remote Similarity	NPD7921	Approved
0.6228	Remote Similarity	NPD2096	Phase 2
0.6228	Remote Similarity	NPD2091	Phase 2
0.622	Remote Similarity	NPD8325	Phase 3
0.622	Remote Similarity	NPD8327	Clinical (unspecified phase)
0.622	Remote Similarity	NPD8326	Phase 3
0.6216	Remote Similarity	NPD7770	Phase 3
0.6213	Remote Similarity	NPD6206	Phase 1
0.6211	Remote Similarity	NPD3006	Discontinued
0.621	Remote Similarity	NPD1996	Discontinued
0.6208	Remote Similarity	NPD3507	Phase 2
0.6206	Remote Similarity	NPD5801	Clinical (unspecified phase)
0.6205	Remote Similarity	NPD4736	Clinical (unspecified phase)
0.6202	Remote Similarity	NPD2921	Clinical (unspecified phase)
0.619	Remote Similarity	NPD6165	Phase 2
0.619	Remote Similarity	NPD8279	Clinical (unspecified phase)
0.619	Remote Similarity	NPD6164	Phase 2
0.6186	Remote Similarity	NPD6261	Phase 3
0.6185	Remote Similarity	NPD5506	Approved
0.6185	Remote Similarity	NPD5507	Approved
0.6184	Remote Similarity	NPD2092	Phase 2
0.6184	Remote Similarity	NPD2095	Phase 2
0.6184	Remote Similarity	NPD2094	Phase 2
0.6182	Remote Similarity	NPD5140	Approved
0.6182	Remote Similarity	NPD5138	Approved
0.618	Remote Similarity	NPD4950	Approved
0.6176	Remote Similarity	NPD7393	Clinical (unspecified phase)
0.6173	Remote Similarity	NPD648	Clinical (unspecified phase)
0.6169	Remote Similarity	NPD5483	Clinical (unspecified phase)
0.6169	Remote Similarity	NPD3258	Approved
0.616	Remote Similarity	NPD7621	Clinical (unspecified phase)
0.6157	Remote Similarity	NPD7797	Approved
0.6157	Remote Similarity	NPD7796	Approved
0.6154	Remote Similarity	NPD6716	Phase 1
0.6148	Remote Similarity	NPD6567	Clinical (unspecified phase)
0.6148	Remote Similarity	NPD8013	Clinical (unspecified phase)
0.6142	Remote Similarity	NPD5022	Discontinued
0.6142	Remote Similarity	NPD8512	Phase 3
0.6132	Remote Similarity	NPD6529	Discontinued
0.6123	Remote Similarity	NPD5398	Clinical (unspecified phase)
0.6122	Remote Similarity	NPD5866	Approved
0.6121	Remote Similarity	NPD4334	Discontinued
0.6121	Remote Similarity	NPD1534	Approved
0.6116	Remote Similarity	NPD6739	Clinical (unspecified phase)
0.6109	Remote Similarity	NPD1631	Approved
0.6097	Remote Similarity	NPD7955	Approved
0.6097	Remote Similarity	NPD7956	Approved
0.6096	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.6094	Remote Similarity	NPD5151	Clinical (unspecified phase)
0.6094	Remote Similarity	NPD3746	Discontinued
0.6093	Remote Similarity	NPD7181	Phase 3
0.6091	Remote Similarity	NPD7947	Clinical (unspecified phase)
0.609	Remote Similarity	NPD7690	Clinical (unspecified phase)
0.6083	Remote Similarity	NPD5721	Clinical (unspecified phase)
0.608	Remote Similarity	NPD6242	Discontinued
0.6078	Remote Similarity	NPD3390	Phase 2
0.6075	Remote Similarity	NPD5482	Discontinued
0.6073	Remote Similarity	NPD3757	Clinical (unspecified phase)
0.6073	Remote Similarity	NPD8112	Clinical (unspecified phase)
0.6067	Remote Similarity	NPD484	Approved
0.6067	Remote Similarity	NPD8248	Clinical (unspecified phase)
0.6067	Remote Similarity	NPD8463	Approved
0.6066	Remote Similarity	NPD6456	Discontinued
0.6063	Remote Similarity	NPD3259	Approved
0.6063	Remote Similarity	NPD7268	Clinical (unspecified phase)
0.6059	Remote Similarity	NPD5975	Clinical (unspecified phase)
0.6058	Remote Similarity	NPD3777	Phase 3
0.6058	Remote Similarity	NPD8072	Approved
0.6049	Remote Similarity	NPD8322	Phase 2
0.6047	Remote Similarity	NPD6142	Phase 3
0.6043	Remote Similarity	NPD5728	Clinical (unspecified phase)
0.6041	Remote Similarity	NPD7998	Clinical (unspecified phase)
0.604	Remote Similarity	NPD6455	Phase 3
0.6038	Remote Similarity	NPD1592	Phase 3
0.6035	Remote Similarity	NPD749	Clinical (unspecified phase)
0.6034	Remote Similarity	NPD5444	Phase 1

Structure

NPC475619 OpenBabel07101719522D 65 70 0 0 1 0 0 0 0 0999 V2000 1.7087 0.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6510 1.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8011 5.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9090 3.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4534 4.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1056 3.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7579 3.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1058 -0.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6510 -1.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6942 -1.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 -0.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3725 -1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6510 0.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3079 3.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9602 3.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6124 2.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2352 3.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5613 3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8874 2.8788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2136 2.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5397 2.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8658 1.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9752 0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1558 1.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1919 1.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2647 1.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3666 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0346 -1.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0346 0.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9818 4.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6340 3.5185 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.2863 2.8927 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9385 2.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3963 -1.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7995 -1.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0524 -0.8283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2761 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3752 -1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7995 -0.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0479 -0.2918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0075 -1.9378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3269 -1.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5672 -1.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5915 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5915 -2.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3269 -0.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4092 1.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7326 0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0075 0.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3666 0.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5045 0.7212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4482 -0.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9793 -0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7461 -2.5866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4289 -0.7321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5672 -0.4544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0574 0.7724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5898 2.6075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0262 -2.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5445 0.7171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -0.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3933 -0.9790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5181 1.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 14 1 0 0 0 0 3 31 1 0 0 0 0 4 31 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 11 38 1 0 0 0 0 12 64 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 24 25 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 34 2 0 0 0 0 27 65 1 0 0 0 0 28 42 2 0 0 0 0 28 44 1 0 0 0 0 29 43 1 0 0 0 0 29 46 2 0 0 0 0 30 45 1 0 0 0 0 30 47 2 0 0 0 0 35 39 2 0 0 0 0 35 42 1 0 0 0 0 36 40 2 0 0 0 0 36 43 1 0 0 0 0 37 10 1 6 0 0 0 37 41 1 0 0 0 0 37 44 1 0 0 0 0 38 45 2 0 0 0 0 38 49 1 0 0 0 0 39 46 1 0 0 0 0 40 47 1 0 0 0 0 41 24 1 1 0 0 0 41 51 1 0 0 0 0 42 56 1 0 0 0 0 43 57 2 0 0 0 0 44 58 2 0 0 0 0 45 59 1 0 0 0 0 46 56 1 0 0 0 0 47 57 1 0 0 0 0 48 60 2 0 0 0 0 48 65 1 0 0 0 0 49 52 2 0 0 0 0 49 53 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 50 55 1 0 0 0 0 51 58 1 0 0 0 0 52 59 1 0 0 0 0 53 55 1 0 0 0 0 53 61 2 0 0 0 0 54 55 1 0 0 0 0 54 62 2 0 0 0 0 54 64 1 0 0 0 0 55 63 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL509432
ZINC

Physicochemical Properties

Molecular Weight:	886.56
ALogP:	3.4469
MLogP:	6.41
XLogP:	13.859
# Rotatable Bonds:	34
Polar Surface Area:	147.26
# H-Bond Aceptor:	10
# H-Bond Donor:	3
# Rings:	6
# Heavy Atoms:	65

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