NPASS Natural Product

Natural Product: NPC315542

Natural Product ID:	NPC315542
Common Name:	Salinamide A
IUPAC Name:
Synonyms:
Molecular Formula:	C51H69N7O15
Standard InCHIKey:	UIHLRTKYJPYYEU-WWTAGGGNSA-N
Standard InCHI:	InChI=1S/C51H69N7O15/c1-10-27(4)39-46(65)57-42-33-16-18-34(19-17-33)73-31(8)51(25-71-51)21-20-37(60)52-23-38(61)70-24-35(50(69)72-30(7)41(48(67)54-39)56-44(63)28(5)43(62)26(2)3)53-47(66)40(29(6)59)55-45(64)36(58(9)49(42)68)22-32-14-12-11-13-15-32/h11-21,26-31,35-36,39-43,59,62H,10,22-25H2,1-9H3,(H,52,60)(H,53,66)(H,54,67)(H,55,64)(H,56,63)(H,57,65)/b21-20+/t27-,28+,29+,30+,31+,35-,36-,39+,40+,41-,42+,43+,51-/m1/s1
Canonical SMILES:	CC[C@H]([C@@H]1N=C(O)[C@H](N=C([C@H]([C@H](C(C)C)O)C)O)[C@H](C)OC(=O)[C@H]2COC(=O)CN=C(/C=C/[C@]3([C@@H](Oc4ccc([C@H](N=C1O)C(=O)N(C)[C@H](Cc1ccccc1)C(=N[C@H](C(=N2)O)[C@@H](O)C)O)cc4)C)CO3)O)C
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
NPO31738	Streptomyces cnb091	Species	Streptomycetaceae	Bacteria				StreptomeDB*

Biological Activity

Activity Type	# Activity
IC50	2

Activity Type	# Activity
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	=	500	nM	10.1021/np960709c

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 NPC315542 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	156
0.1-0.2	897
0.2-0.3	2834
0.3-0.4	8841
0.4-0.5	3999
0.5-0.6	11948
0.6-0.7	1995
0.7-0.8	193
0.8-0.85	25
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8757	High Similarity	NPC196091
0.8278	Intermediate Similarity	NPC276120
0.8256	Intermediate Similarity	NPC254700
0.8249	Intermediate Similarity	NPC475421
0.8218	Intermediate Similarity	NPC473693
0.8218	Intermediate Similarity	NPC471568
0.8198	Intermediate Similarity	NPC472923
0.8182	Intermediate Similarity	NPC164608
0.8182	Intermediate Similarity	NPC26108
0.8118	Intermediate Similarity	NPC56635
0.8111	Intermediate Similarity	NPC470112
0.8111	Intermediate Similarity	NPC470903
0.8111	Intermediate Similarity	NPC167763
0.8103	Intermediate Similarity	NPC473502
0.8101	Intermediate Similarity	NPC32064
0.8098	Intermediate Similarity	NPC473407
0.8098	Intermediate Similarity	NPC473378
0.8079	Intermediate Similarity	NPC279871
0.8057	Intermediate Similarity	NPC186617
0.8043	Intermediate Similarity	NPC174122
0.8043	Intermediate Similarity	NPC64140
0.8023	Intermediate Similarity	NPC137627
0.8023	Intermediate Similarity	NPC306804
0.8022	Intermediate Similarity	NPC299806
0.8	Intermediate Similarity	NPC294516
0.8	Intermediate Similarity	NPC107938
0.7989	Intermediate Similarity	NPC234069
0.7989	Intermediate Similarity	NPC123859
0.7979	Intermediate Similarity	NPC144314
0.7978	Intermediate Similarity	NPC476227
0.7978	Intermediate Similarity	NPC155506
0.7978	Intermediate Similarity	NPC159767
0.7978	Intermediate Similarity	NPC473354
0.7967	Intermediate Similarity	NPC471048
0.7967	Intermediate Similarity	NPC471049
0.7967	Intermediate Similarity	NPC471050
0.7965	Intermediate Similarity	NPC319320
0.7965	Intermediate Similarity	NPC287757
0.7944	Intermediate Similarity	NPC194671
0.7944	Intermediate Similarity	NPC269750
0.7937	Intermediate Similarity	NPC50548
0.7926	Intermediate Similarity	NPC149962
0.7923	Intermediate Similarity	NPC138083
0.7921	Intermediate Similarity	NPC273755
0.791	Intermediate Similarity	NPC40234
0.7907	Intermediate Similarity	NPC207675
0.7907	Intermediate Similarity	NPC212699
0.7903	Intermediate Similarity	NPC477526
0.7877	Intermediate Similarity	NPC158277
0.7877	Intermediate Similarity	NPC471165
0.7869	Intermediate Similarity	NPC294951
0.7865	Intermediate Similarity	NPC89831
0.7865	Intermediate Similarity	NPC230611
0.7865	Intermediate Similarity	NPC311357
0.7849	Intermediate Similarity	NPC29531
0.7833	Intermediate Similarity	NPC50016
0.7821	Intermediate Similarity	NPC248670
0.7811	Intermediate Similarity	NPC132771
0.7784	Intermediate Similarity	NPC63931
0.7778	Intermediate Similarity	NPC59827
0.7778	Intermediate Similarity	NPC473402
0.7778	Intermediate Similarity	NPC184933
0.7765	Intermediate Similarity	NPC473491
0.776	Intermediate Similarity	NPC242728
0.776	Intermediate Similarity	NPC476321
0.7747	Intermediate Similarity	NPC45037
0.7742	Intermediate Similarity	NPC329731
0.7739	Intermediate Similarity	NPC326027
0.7738	Intermediate Similarity	NPC81026
0.7727	Intermediate Similarity	NPC326333
0.7717	Intermediate Similarity	NPC471526
0.7709	Intermediate Similarity	NPC475204
0.7709	Intermediate Similarity	NPC46009
0.7709	Intermediate Similarity	NPC475123
0.7706	Intermediate Similarity	NPC245974
0.7692	Intermediate Similarity	NPC16188
0.7684	Intermediate Similarity	NPC471563
0.7679	Intermediate Similarity	NPC266741
0.7665	Intermediate Similarity	NPC189724
0.7665	Intermediate Similarity	NPC83289
0.7665	Intermediate Similarity	NPC212850
0.7661	Intermediate Similarity	NPC324081
0.766	Intermediate Similarity	NPC163961
0.766	Intermediate Similarity	NPC283207
0.766	Intermediate Similarity	NPC473305
0.7656	Intermediate Similarity	NPC477527
0.7656	Intermediate Similarity	NPC323662
0.7647	Intermediate Similarity	NPC4910
0.7647	Intermediate Similarity	NPC9373
0.7632	Intermediate Similarity	NPC328763
0.7619	Intermediate Similarity	NPC248822
0.7588	Intermediate Similarity	NPC247298
0.7572	Intermediate Similarity	NPC202198
0.7565	Intermediate Similarity	NPC477552
0.7565	Intermediate Similarity	NPC477550
0.7561	Intermediate Similarity	NPC470392
0.7553	Intermediate Similarity	NPC94862
0.7529	Intermediate Similarity	NPC39431
0.7514	Intermediate Similarity	NPC233702
0.7514	Intermediate Similarity	NPC469243
0.7513	Intermediate Similarity	NPC473422
0.75	Intermediate Similarity	NPC209463
0.7487	Intermediate Similarity	NPC477551
0.7486	Intermediate Similarity	NPC136797
0.7485	Intermediate Similarity	NPC135121
0.7474	Intermediate Similarity	NPC61332
0.7474	Intermediate Similarity	NPC240130
0.7471	Intermediate Similarity	NPC477217
0.7471	Intermediate Similarity	NPC262166
0.7471	Intermediate Similarity	NPC201244
0.7462	Intermediate Similarity	NPC473460
0.7458	Intermediate Similarity	NPC244336
0.7448	Intermediate Similarity	NPC65714
0.7448	Intermediate Similarity	NPC302715
0.7425	Intermediate Similarity	NPC127741
0.7425	Intermediate Similarity	NPC6570
0.7416	Intermediate Similarity	NPC475544
0.7403	Intermediate Similarity	NPC302597
0.7396	Intermediate Similarity	NPC476989
0.7389	Intermediate Similarity	NPC223207
0.7386	Intermediate Similarity	NPC476268
0.738	Intermediate Similarity	NPC473404
0.7371	Intermediate Similarity	NPC473371
0.7353	Intermediate Similarity	NPC91953
0.7348	Intermediate Similarity	NPC471771
0.7348	Intermediate Similarity	NPC290755
0.7348	Intermediate Similarity	NPC304074
0.7341	Intermediate Similarity	NPC313414
0.7337	Intermediate Similarity	NPC46098
0.7337	Intermediate Similarity	NPC307357
0.7337	Intermediate Similarity	NPC268841
0.7333	Intermediate Similarity	NPC471592
0.7322	Intermediate Similarity	NPC198254
0.7322	Intermediate Similarity	NPC274198
0.731	Intermediate Similarity	NPC473450
0.7294	Intermediate Similarity	NPC197921
0.7291	Intermediate Similarity	NPC471532
0.7288	Intermediate Similarity	NPC244509
0.7288	Intermediate Similarity	NPC473580
0.7278	Intermediate Similarity	NPC241794
0.7277	Intermediate Similarity	NPC471561
0.7268	Intermediate Similarity	NPC280022
0.7253	Intermediate Similarity	NPC469479
0.7253	Intermediate Similarity	NPC61004
0.7251	Intermediate Similarity	NPC469360
0.7246	Intermediate Similarity	NPC274732
0.7246	Intermediate Similarity	NPC471953
0.724	Intermediate Similarity	NPC102959
0.7238	Intermediate Similarity	NPC471052
0.7238	Intermediate Similarity	NPC133470
0.7238	Intermediate Similarity	NPC471053
0.7238	Intermediate Similarity	NPC191863
0.7238	Intermediate Similarity	NPC289776
0.7238	Intermediate Similarity	NPC471051
0.7234	Intermediate Similarity	NPC134413
0.7234	Intermediate Similarity	NPC271958
0.7234	Intermediate Similarity	NPC263507
0.7234	Intermediate Similarity	NPC45112
0.7228	Intermediate Similarity	NPC276506
0.7216	Intermediate Similarity	NPC162104
0.7202	Intermediate Similarity	NPC60516
0.7189	Intermediate Similarity	NPC328494
0.7186	Intermediate Similarity	NPC45191
0.7184	Intermediate Similarity	NPC145113
0.7181	Intermediate Similarity	NPC97526
0.7181	Intermediate Similarity	NPC119652
0.7178	Intermediate Similarity	NPC219350
0.7178	Intermediate Similarity	NPC194699
0.7166	Intermediate Similarity	NPC196243
0.7151	Intermediate Similarity	NPC161069
0.715	Intermediate Similarity	NPC471531
0.7143	Intermediate Similarity	NPC478005
0.7135	Intermediate Similarity	NPC269383
0.7135	Intermediate Similarity	NPC163392
0.7135	Intermediate Similarity	NPC151030
0.7135	Intermediate Similarity	NPC239762
0.7126	Intermediate Similarity	NPC314358
0.712	Intermediate Similarity	NPC328649
0.712	Intermediate Similarity	NPC141957
0.7118	Intermediate Similarity	NPC68865
0.711	Intermediate Similarity	NPC476978
0.7108	Intermediate Similarity	NPC296712
0.7108	Intermediate Similarity	NPC293347
0.7101	Intermediate Similarity	NPC169766
0.7092	Intermediate Similarity	NPC314083
0.7083	Intermediate Similarity	NPC235194
0.7079	Intermediate Similarity	NPC261934
0.7079	Intermediate Similarity	NPC56685
0.7079	Intermediate Similarity	NPC122590
0.7079	Intermediate Similarity	NPC5194
0.7076	Intermediate Similarity	NPC242159
0.7076	Intermediate Similarity	NPC313694
0.7069	Intermediate Similarity	NPC316008
0.7069	Intermediate Similarity	NPC313867
0.7069	Intermediate Similarity	NPC209509
0.7068	Intermediate Similarity	NPC86678
0.7059	Intermediate Similarity	NPC475532
0.7041	Intermediate Similarity	NPC244866
0.7039	Intermediate Similarity	NPC277306
0.7039	Intermediate Similarity	NPC469442

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC315542 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	130
0.1-0.2	424
0.2-0.3	784
0.3-0.4	1701
0.4-0.5	2369
0.5-0.6	2543
0.6-0.7	1132
0.7-0.8	74
0.8-0.85	4
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8424	Intermediate Similarity	NPD7131	Phase 3
0.8114	Intermediate Similarity	NPD7608	Discontinued
0.8085	Intermediate Similarity	NPD7811	Phase 3
0.8085	Intermediate Similarity	NPD7810	Phase 3
0.7955	Intermediate Similarity	NPD7485	Phase 3
0.7955	Intermediate Similarity	NPD7484	Phase 3
0.7717	Intermediate Similarity	NPD7132	Clinical (unspecified phase)
0.7634	Intermediate Similarity	NPD6853	Approved
0.7634	Intermediate Similarity	NPD6851	Approved
0.7614	Intermediate Similarity	NPD7972	Discontinued
0.7584	Intermediate Similarity	NPD8031	Discontinued
0.7574	Intermediate Similarity	NPD2976	Clinical (unspecified phase)
0.7571	Intermediate Similarity	NPD7318	Phase 3
0.746	Intermediate Similarity	NPD6089	Clinical (unspecified phase)
0.7459	Intermediate Similarity	NPD5484	Approved
0.7459	Intermediate Similarity	NPD5485	Approved
0.7458	Intermediate Similarity	NPD7317	Phase 3
0.7455	Intermediate Similarity	NPD5745	Approved
0.7436	Intermediate Similarity	NPD7565	Approved
0.7419	Intermediate Similarity	NPD6297	Approved
0.7412	Intermediate Similarity	NPD7596	Clinical (unspecified phase)
0.738	Intermediate Similarity	NPD5192	Clinical (unspecified phase)
0.7374	Intermediate Similarity	NPD5967	Approved
0.7345	Intermediate Similarity	NPD6502	Phase 2
0.7337	Intermediate Similarity	NPD3451	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD5746	Approved
0.7314	Intermediate Similarity	NPD4186	Clinical (unspecified phase)
0.7303	Intermediate Similarity	NPD7118	Clinical (unspecified phase)
0.7303	Intermediate Similarity	NPD2541	Clinical (unspecified phase)
0.7302	Intermediate Similarity	NPD7281	Phase 3
0.7302	Intermediate Similarity	NPD7280	Phase 3
0.7282	Intermediate Similarity	NPD7667	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD5557	Phase 1
0.7263	Intermediate Similarity	NPD6556	Clinical (unspecified phase)
0.7254	Intermediate Similarity	NPD6505	Approved
0.7254	Intermediate Similarity	NPD6504	Approved
0.7254	Intermediate Similarity	NPD5525	Clinical (unspecified phase)
0.7234	Intermediate Similarity	NPD7959	Clinical (unspecified phase)
0.7222	Intermediate Similarity	NPD5773	Approved
0.7222	Intermediate Similarity	NPD5772	Approved
0.7216	Intermediate Similarity	NPD6390	Discontinued
0.7196	Intermediate Similarity	NPD8014	Clinical (unspecified phase)
0.7193	Intermediate Similarity	NPD2239	Approved
0.7193	Intermediate Similarity	NPD2240	Approved
0.7166	Intermediate Similarity	NPD3909	Discontinued
0.7159	Intermediate Similarity	NPD3536	Discontinued
0.7159	Intermediate Similarity	NPD4123	Phase 3
0.7158	Intermediate Similarity	NPD8245	Clinical (unspecified phase)
0.715	Intermediate Similarity	NPD7291	Discontinued
0.7143	Intermediate Similarity	NPD4413	Clinical (unspecified phase)
0.7135	Intermediate Similarity	NPD7315	Approved
0.7128	Intermediate Similarity	NPD3965	Phase 1
0.7128	Intermediate Similarity	NPD5313	Approved
0.7128	Intermediate Similarity	NPD5312	Approved
0.7126	Intermediate Similarity	NPD5481	Discontinued
0.712	Intermediate Similarity	NPD2041	Clinical (unspecified phase)
0.712	Intermediate Similarity	NPD2904	Discontinued
0.712	Intermediate Similarity	NPD2042	Clinical (unspecified phase)
0.7113	Intermediate Similarity	NPD6377	Clinical (unspecified phase)
0.7111	Intermediate Similarity	NPD6677	Suspended
0.709	Intermediate Similarity	NPD5441	Clinical (unspecified phase)
0.7086	Intermediate Similarity	NPD8323	Discontinued
0.7083	Intermediate Similarity	NPD5946	Clinical (unspecified phase)
0.7069	Intermediate Similarity	NPD2460	Phase 3
0.7069	Intermediate Similarity	NPD2459	Approved
0.7069	Intermediate Similarity	NPD6860	Clinical (unspecified phase)
0.7069	Intermediate Similarity	NPD2458	Approved
0.7056	Intermediate Similarity	NPD4675	Approved
0.7056	Intermediate Similarity	NPD4678	Approved
0.7053	Intermediate Similarity	NPD3823	Discontinued
0.7052	Intermediate Similarity	NPD7978	Discontinued
0.7045	Intermediate Similarity	NPD6666	Approved
0.7045	Intermediate Similarity	NPD6667	Approved
0.7044	Intermediate Similarity	NPD8161	Suspended
0.7044	Intermediate Similarity	NPD7607	Clinical (unspecified phase)
0.7011	Intermediate Similarity	NPD7975	Clinical (unspecified phase)
0.701	Intermediate Similarity	NPD3863	Clinical (unspecified phase)
0.701	Intermediate Similarity	NPD7583	Approved
0.6994	Remote Similarity	NPD1725	Approved
0.6983	Remote Similarity	NPD1670	Discontinued
0.6982	Remote Similarity	NPD3056	Clinical (unspecified phase)
0.698	Remote Similarity	NPD6863	Phase 2
0.6978	Remote Similarity	NPD5355	Approved
0.6978	Remote Similarity	NPD8019	Approved
0.6978	Remote Similarity	NPD5356	Approved
0.6977	Remote Similarity	NPD5688	Approved
0.6977	Remote Similarity	NPD5689	Approved
0.6976	Remote Similarity	NPD7585	Approved
0.6974	Remote Similarity	NPD4435	Approved
0.6973	Remote Similarity	NPD8303	Discontinued
0.6966	Remote Similarity	NPD2874	Phase 2
0.6963	Remote Similarity	NPD6211	Clinical (unspecified phase)
0.6954	Remote Similarity	NPD3656	Approved
0.6927	Remote Similarity	NPD7613	Discontinued
0.6923	Remote Similarity	NPD3136	Phase 2
0.6923	Remote Similarity	NPD6072	Discontinued
0.6923	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD8103	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD4434	Approved
0.6919	Remote Similarity	NPD3052	Approved
0.6919	Remote Similarity	NPD8172	Phase 2
0.6919	Remote Similarity	NPD8173	Phase 2
0.6919	Remote Similarity	NPD8070	Approved
0.6919	Remote Similarity	NPD8005	Clinical (unspecified phase)
0.6919	Remote Similarity	NPD3054	Approved
0.6919	Remote Similarity	NPD4466	Phase 1
0.6915	Remote Similarity	NPD6874	Approved
0.6897	Remote Similarity	NPD6032	Approved
0.6893	Remote Similarity	NPD3692	Discontinued
0.6885	Remote Similarity	NPD4018	Clinical (unspecified phase)
0.6885	Remote Similarity	NPD7495	Discontinued
0.6885	Remote Similarity	NPD7945	Clinical (unspecified phase)
0.6884	Remote Similarity	NPD6312	Discontinued
0.6882	Remote Similarity	NPD3374	Clinical (unspecified phase)
0.6882	Remote Similarity	NPD6862	Phase 2
0.6872	Remote Similarity	NPD6419	Discontinued
0.6872	Remote Similarity	NPD3688	Clinical (unspecified phase)
0.6872	Remote Similarity	NPD3146	Approved
0.6872	Remote Similarity	NPD3985	Discontinued
0.6872	Remote Similarity	NPD3154	Approved
0.6872	Remote Similarity	NPD3153	Approved
0.6869	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.6863	Remote Similarity	NPD5152	Clinical (unspecified phase)
0.686	Remote Similarity	NPD4618	Approved
0.686	Remote Similarity	NPD4622	Approved
0.6854	Remote Similarity	NPD5295	Discontinued
0.6848	Remote Similarity	NPD3465	Clinical (unspecified phase)
0.6848	Remote Similarity	NPD6818	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD5729	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD1423	Approved
0.6842	Remote Similarity	NPD3366	Approved
0.6842	Remote Similarity	NPD7477	Discontinued
0.6842	Remote Similarity	NPD5605	Phase 2
0.6839	Remote Similarity	NPD7038	Approved
0.6839	Remote Similarity	NPD7039	Approved
0.6836	Remote Similarity	NPD3400	Discontinued
0.6833	Remote Similarity	NPD52	Approved
0.6833	Remote Similarity	NPD1975	Clinical (unspecified phase)
0.6833	Remote Similarity	NPD7527	Clinical (unspecified phase)
0.6833	Remote Similarity	NPD7526	Approved
0.6831	Remote Similarity	NPD2513	Approved
0.6828	Remote Similarity	NPD2098	Approved
0.6825	Remote Similarity	NPD2388	Discontinued
0.6818	Remote Similarity	NPD3808	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD7153	Discontinued
0.6818	Remote Similarity	NPD3655	Clinical (unspecified phase)
0.6814	Remote Similarity	NPD4971	Clinical (unspecified phase)
0.6813	Remote Similarity	NPD3455	Phase 2
0.6811	Remote Similarity	NPD6063	Approved
0.6811	Remote Similarity	NPD2097	Approved
0.6809	Remote Similarity	NPD6107	Approved
0.6804	Remote Similarity	NPD4419	Clinical (unspecified phase)
0.6804	Remote Similarity	NPD3936	Clinical (unspecified phase)
0.6802	Remote Similarity	NPD6608	Clinical (unspecified phase)
0.68	Remote Similarity	NPD4476	Approved
0.68	Remote Similarity	NPD7450	Phase 2
0.68	Remote Similarity	NPD4477	Approved
0.6798	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.6796	Remote Similarity	NPD8330	Clinical (unspecified phase)
0.6796	Remote Similarity	NPD6662	Clinical (unspecified phase)
0.6796	Remote Similarity	NPD7427	Discontinued
0.6793	Remote Similarity	NPD3007	Approved
0.6793	Remote Similarity	NPD4433	Discontinued
0.6793	Remote Similarity	NPD2515	Approved
0.6791	Remote Similarity	NPD6315	Phase 2
0.6789	Remote Similarity	NPD6894	Phase 1
0.6784	Remote Similarity	NPD1048	Approved
0.678	Remote Similarity	NPD6364	Approved
0.678	Remote Similarity	NPD44	Approved
0.6778	Remote Similarity	NPD5348	Clinical (unspecified phase)
0.6772	Remote Similarity	NPD4652	Approved
0.6771	Remote Similarity	NPD42	Phase 2
0.6771	Remote Similarity	NPD6042	Phase 2
0.6765	Remote Similarity	NPD7566	Clinical (unspecified phase)
0.6763	Remote Similarity	NPD7043	Discontinued
0.6763	Remote Similarity	NPD7113	Clinical (unspecified phase)
0.6763	Remote Similarity	NPD7584	Approved
0.6762	Remote Similarity	NPD7827	Phase 1
0.6761	Remote Similarity	NPD5865	Clinical (unspecified phase)
0.676	Remote Similarity	NPD5756	Phase 2
0.6758	Remote Similarity	NPD4003	Phase 3
0.6757	Remote Similarity	NPD6668	Clinical (unspecified phase)
0.6748	Remote Similarity	NPD3946	Clinical (unspecified phase)
0.6743	Remote Similarity	NPD6380	Phase 1
0.6741	Remote Similarity	NPD7560	Approved
0.674	Remote Similarity	NPD7303	Discontinued
0.6739	Remote Similarity	NPD7110	Phase 1
0.6739	Remote Similarity	NPD6386	Approved
0.6739	Remote Similarity	NPD7109	Clinical (unspecified phase)
0.6739	Remote Similarity	NPD6385	Approved
0.6737	Remote Similarity	NPD5137	Approved
0.6736	Remote Similarity	NPD7695	Clinical (unspecified phase)
0.6734	Remote Similarity	NPD5994	Discontinued
0.6732	Remote Similarity	NPD8163	Clinical (unspecified phase)
0.6732	Remote Similarity	NPD8162	Phase 2
0.6725	Remote Similarity	NPD5163	Phase 2
0.6723	Remote Similarity	NPD6681	Discovery
0.6723	Remote Similarity	NPD2897	Discontinued
0.6721	Remote Similarity	NPD2052	Approved
0.672	Remote Similarity	NPD2017	Approved

Structure

CID315542 OpenBabel06191716132D 73 77 0 0 1 0 0 0 0 0999 V2000 0.3612 3.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6991 -1.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4391 -0.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3776 1.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0898 -2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5974 -1.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7600 -3.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0931 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7583 2.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1708 2.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6836 -0.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6836 0.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8781 -0.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8781 0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0726 -0.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6712 2.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1948 1.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7928 2.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0466 1.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0221 -2.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4616 1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9335 -4.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6630 -4.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0972 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -1.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 1.8301 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0468 -1.1392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9607 -1.9943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4026 -3.1798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9649 0.3588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0726 0.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0181 1.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4961 -4.0251 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6561 0.9207 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4871 -3.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8239 -4.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7981 0.9142 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0552 -1.7819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7380 -2.2920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5151 2.6176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8299 -0.6374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2206 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0165 0.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4955 1.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7310 -2.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3976 -1.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3648 2.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3893 -4.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7525 -0.5467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1379 -3.8425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2001 -3.4174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4184 -0.1277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1524 -0.8569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9118 -2.7193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4352 2.3656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0938 1.6616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2295 -2.8847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7463 -3.7403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6688 -5.5102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7868 0.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1775 0.2171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9124 0.3134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2615 3.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5552 -3.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4775 -1.3724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8467 3.0349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2952 -5.0213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7532 -4.6321 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 4.3195 -3.8037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3958 1.1831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 26 1 0 0 0 0 3 26 1 0 0 0 0 8 31 1 0 0 0 0 9 58 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 14 32 2 0 0 0 0 15 32 1 0 0 0 0 16 18 1 0 0 0 0 16 33 2 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 18 34 2 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 22 32 1 0 0 0 0 23 38 1 0 0 0 0 23 52 1 0 0 0 0 24 70 1 0 0 0 0 25 51 1 0 0 0 0 25 71 1 0 0 0 0 26 43 1 0 0 0 0 27 4 1 6 0 0 0 28 5 1 1 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 29 6 1 6 0 0 0 29 59 1 0 0 0 0 30 7 1 1 0 0 0 30 41 1 0 0 0 0 30 72 1 0 0 0 0 31 51 1 6 0 0 0 31 73 1 0 0 0 0 34 73 1 0 0 0 0 35 24 1 6 0 0 0 35 50 1 0 0 0 0 35 53 1 0 0 0 0 36 22 1 6 0 0 0 36 45 1 0 0 0 0 36 58 1 0 0 0 0 37 52 2 3 0 0 0 37 60 1 0 0 0 0 38 61 2 0 0 0 0 38 70 1 0 0 0 0 39 27 1 1 0 0 0 39 46 1 0 0 0 0 39 54 1 0 0 0 0 40 29 1 1 0 0 0 40 47 1 0 0 0 0 40 55 1 0 0 0 0 41 48 1 0 0 0 0 41 56 1 1 0 0 0 42 33 1 1 0 0 0 42 49 1 0 0 0 0 42 57 1 0 0 0 0 43 62 1 6 0 0 0 44 56 2 3 0 0 0 44 63 1 0 0 0 0 45 55 2 3 0 0 0 45 64 1 0 0 0 0 46 57 2 3 0 0 0 46 65 1 0 0 0 0 47 53 2 3 0 0 0 47 66 1 0 0 0 0 48 54 2 3 0 0 0 48 67 1 0 0 0 0 49 58 1 0 0 0 0 49 68 2 0 0 0 0 50 69 2 0 0 0 0 50 72 1 0 0 0 0 51 21 1 6 0 0 0 51 71 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	44566663
ChEMBL	CHEMBL448661
ZINC

Physicochemical Properties

Molecular Weight:	1019.49
ALogP:	-2.699
MLogP:	4.65
XLogP:	4.25
# Rotatable Bonds:	26
Polar Surface Area:	330.67
# H-Bond Aceptor:	21
# H-Bond Donor:	8
# Rings:	4
# Heavy Atoms:	73

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