NPASS Natural Product

Natural Product: NPC478005

Natural Product ID:	NPC478005
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C38H48N8O12S
Standard InCHIKey:	IBKGYXSLNPEYQW-IHDBKHCHSA-N
Standard InCHI:	InChI=1S/C38H48N8O12S/c1-20(45(2)34(53)26(39)16-22-5-4-6-24(48)15-22)31(33(52)40-19-25-18-29(49)35(58-25)46-13-11-30(50)43-38(46)57)44-32(51)27(12-14-59-3)41-37(56)42-28(36(54)55)17-21-7-9-23(47)10-8-21/h4-11,13,15,19-20,26-29,31,35,47-49H,12,14,16-18,39H2,1-3H3,(H,40,52)(H,44,51)(H,54,55)(H2,41,42,56)(H,43,50,57)/b25-19-/t20-,26-,27-,28-,29+,31-,35+/m0/s1
Canonical SMILES:	CSCC[C@@H](C(=N[C@@H]([C@@H](N(C(=O)[C@H](Cc1cccc(c1)O)N)C)C)C(=N/C=C/1O[C@H]([C@@H](C1)O)n1ccc(nc1=O)O)O)O)N=C(N[C@H](C(=O)O)Cc1ccc(cc1)O)O
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
NPO30376	Streptomyces sp.	Species	Streptomycetaceae	Bacteria				PMID[24964393]

Biological Activity

Activity Type	# Activity
MIC	2

Activity Type	# Activity
Organism	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	8	ug/ml	24964393
NPT790	Organism	Mycobacterium tuberculosis H37Rv	Mycobacterium tuberculosis H37Rv	MIC	=	8	ug/ml	24964393

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 NPC478005 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	169
0.1-0.2	1026
0.2-0.3	4101
0.3-0.4	8610
0.4-0.5	11412
0.5-0.6	5052
0.6-0.7	372
0.7-0.8	139
0.8-0.85	6
0.85-0.9	0
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9436	High Similarity	NPC478007
0.934	High Similarity	NPC478008
0.8396	Intermediate Similarity	NPC153554
0.8229	Intermediate Similarity	NPC94862
0.8112	Intermediate Similarity	NPC302715
0.8051	Intermediate Similarity	NPC61332
0.8051	Intermediate Similarity	NPC240130
0.8032	Intermediate Similarity	NPC248670
0.798	Intermediate Similarity	NPC477638
0.798	Intermediate Similarity	NPC477632
0.7947	Intermediate Similarity	NPC196243
0.7926	Intermediate Similarity	NPC198254
0.7926	Intermediate Similarity	NPC274198
0.7926	Intermediate Similarity	NPC276506
0.7865	Intermediate Similarity	NPC97526
0.7865	Intermediate Similarity	NPC119652
0.7861	Intermediate Similarity	NPC471771
0.7861	Intermediate Similarity	NPC304074
0.7861	Intermediate Similarity	NPC290755
0.7838	Intermediate Similarity	NPC469243
0.7838	Intermediate Similarity	NPC475544
0.7817	Intermediate Similarity	NPC102959
0.7811	Intermediate Similarity	NPC314056
0.7807	Intermediate Similarity	NPC223207
0.7801	Intermediate Similarity	NPC26108
0.7784	Intermediate Similarity	NPC473404
0.7778	Intermediate Similarity	NPC280022
0.7778	Intermediate Similarity	NPC60516
0.7772	Intermediate Similarity	NPC269750
0.7772	Intermediate Similarity	NPC194671
0.7761	Intermediate Similarity	NPC477639
0.7731	Intermediate Similarity	NPC478011
0.7713	Intermediate Similarity	NPC63931
0.7712	Intermediate Similarity	NPC478013
0.7708	Intermediate Similarity	NPC471165
0.7708	Intermediate Similarity	NPC279871
0.7704	Intermediate Similarity	NPC294951
0.77	Intermediate Similarity	NPC477631
0.7699	Intermediate Similarity	NPC314176
0.7696	Intermediate Similarity	NPC89831
0.7688	Intermediate Similarity	NPC477636
0.7685	Intermediate Similarity	NPC477550
0.7685	Intermediate Similarity	NPC477552
0.7673	Intermediate Similarity	NPC329295
0.7668	Intermediate Similarity	NPC50016
0.7656	Intermediate Similarity	NPC306804
0.7656	Intermediate Similarity	NPC137627
0.7622	Intermediate Similarity	NPC473580
0.7617	Intermediate Similarity	NPC17698
0.7614	Intermediate Similarity	NPC471049
0.7614	Intermediate Similarity	NPC471050
0.7614	Intermediate Similarity	NPC471048
0.761	Intermediate Similarity	NPC477551
0.76	Intermediate Similarity	NPC473305
0.76	Intermediate Similarity	NPC163961
0.7583	Intermediate Similarity	NPC478012
0.7565	Intermediate Similarity	NPC475532
0.7565	Intermediate Similarity	NPC273755
0.7552	Intermediate Similarity	NPC475204
0.7552	Intermediate Similarity	NPC475123
0.7526	Intermediate Similarity	NPC473354
0.7526	Intermediate Similarity	NPC165285
0.7526	Intermediate Similarity	NPC476227
0.7513	Intermediate Similarity	NPC477637
0.75	Intermediate Similarity	NPC45037
0.7461	Intermediate Similarity	NPC46009
0.7436	Intermediate Similarity	NPC158277
0.7424	Intermediate Similarity	NPC476321
0.7409	Intermediate Similarity	NPC129486
0.7387	Intermediate Similarity	NPC471526
0.7374	Intermediate Similarity	NPC170302
0.7374	Intermediate Similarity	NPC475564
0.7374	Intermediate Similarity	NPC475409
0.7373	Intermediate Similarity	NPC478006
0.7371	Intermediate Similarity	NPC40234
0.7358	Intermediate Similarity	NPC469444
0.7358	Intermediate Similarity	NPC107938
0.7358	Intermediate Similarity	NPC294516
0.7356	Intermediate Similarity	NPC469443
0.735	Intermediate Similarity	NPC314882
0.7347	Intermediate Similarity	NPC155506
0.7347	Intermediate Similarity	NPC159767
0.7333	Intermediate Similarity	NPC230611
0.7333	Intermediate Similarity	NPC315467
0.7313	Intermediate Similarity	NPC138083
0.7303	Intermediate Similarity	NPC478009
0.7277	Intermediate Similarity	NPC276120
0.7273	Intermediate Similarity	NPC473546
0.7268	Intermediate Similarity	NPC328649
0.7263	Intermediate Similarity	NPC323336
0.7263	Intermediate Similarity	NPC326349
0.726	Intermediate Similarity	NPC323662
0.7259	Intermediate Similarity	NPC473402
0.7256	Intermediate Similarity	NPC469445
0.7255	Intermediate Similarity	NPC64140
0.7255	Intermediate Similarity	NPC174122
0.7241	Intermediate Similarity	NPC4910
0.7233	Intermediate Similarity	NPC328763
0.723	Intermediate Similarity	NPC220060
0.7228	Intermediate Similarity	NPC299806
0.722	Intermediate Similarity	NPC477526
0.722	Intermediate Similarity	NPC473407
0.722	Intermediate Similarity	NPC473378
0.7216	Intermediate Similarity	NPC61004
0.7206	Intermediate Similarity	NPC234069
0.72	Intermediate Similarity	NPC32064
0.7198	Intermediate Similarity	NPC59827
0.7198	Intermediate Similarity	NPC184933
0.7179	Intermediate Similarity	NPC209463
0.716	Intermediate Similarity	NPC478010
0.7158	Intermediate Similarity	NPC476268
0.7157	Intermediate Similarity	NPC329731
0.7157	Intermediate Similarity	NPC96275
0.715	Intermediate Similarity	NPC314083
0.7143	Intermediate Similarity	NPC315388
0.7143	Intermediate Similarity	NPC315542
0.7135	Intermediate Similarity	NPC244336
0.7109	Intermediate Similarity	NPC242728
0.7103	Intermediate Similarity	NPC246303
0.7095	Intermediate Similarity	NPC50548
0.7095	Intermediate Similarity	NPC477527
0.709	Intermediate Similarity	NPC233702
0.7087	Intermediate Similarity	NPC51047
0.7085	Intermediate Similarity	NPC477462
0.7085	Intermediate Similarity	NPC164608
0.7071	Intermediate Similarity	NPC328494
0.707	Intermediate Similarity	NPC194699
0.707	Intermediate Similarity	NPC219350
0.7062	Intermediate Similarity	NPC241794
0.7059	Intermediate Similarity	NPC16188
0.7053	Intermediate Similarity	NPC202198
0.7048	Intermediate Similarity	NPC144314
0.7047	Intermediate Similarity	NPC62104
0.7047	Intermediate Similarity	NPC1390
0.7041	Intermediate Similarity	NPC254700
0.7037	Intermediate Similarity	NPC473491
0.7028	Intermediate Similarity	NPC473450
0.702	Intermediate Similarity	NPC471568
0.702	Intermediate Similarity	NPC473693
0.702	Intermediate Similarity	NPC196091
0.7018	Intermediate Similarity	NPC326333
0.7018	Intermediate Similarity	NPC277306
0.7018	Intermediate Similarity	NPC469442
0.7005	Intermediate Similarity	NPC29531
0.7005	Intermediate Similarity	NPC302597
0.7	Intermediate Similarity	NPC136797
0.7	Intermediate Similarity	NPC149962
0.699	Remote Similarity	NPC210377
0.699	Remote Similarity	NPC217804
0.699	Remote Similarity	NPC5719
0.699	Remote Similarity	NPC22883
0.6986	Remote Similarity	NPC65714
0.6981	Remote Similarity	NPC123859
0.698	Remote Similarity	NPC475421
0.6979	Remote Similarity	NPC244509
0.697	Remote Similarity	NPC186617
0.6963	Remote Similarity	NPC262166
0.6963	Remote Similarity	NPC56685
0.6957	Remote Similarity	NPC246591
0.6955	Remote Similarity	NPC25539
0.6955	Remote Similarity	NPC326027
0.6952	Remote Similarity	NPC80514
0.6947	Remote Similarity	NPC7817
0.6947	Remote Similarity	NPC475168
0.6939	Remote Similarity	NPC471052
0.6939	Remote Similarity	NPC471051
0.6939	Remote Similarity	NPC471053
0.6923	Remote Similarity	NPC471527
0.6919	Remote Similarity	NPC473371
0.6919	Remote Similarity	NPC63040
0.6909	Remote Similarity	NPC251036
0.6904	Remote Similarity	NPC472923
0.689	Remote Similarity	NPC470728
0.6887	Remote Similarity	NPC471592
0.6878	Remote Similarity	NPC470112
0.6878	Remote Similarity	NPC167763
0.6878	Remote Similarity	NPC470903
0.6875	Remote Similarity	NPC122590
0.6872	Remote Similarity	NPC471563
0.6869	Remote Similarity	NPC15068
0.6865	Remote Similarity	NPC132636
0.6852	Remote Similarity	NPC473460
0.6849	Remote Similarity	NPC14877
0.6849	Remote Similarity	NPC145178
0.6849	Remote Similarity	NPC475350
0.6845	Remote Similarity	NPC168861
0.6842	Remote Similarity	NPC105717
0.6839	Remote Similarity	NPC470902
0.6837	Remote Similarity	NPC114806
0.6837	Remote Similarity	NPC476662
0.6834	Remote Similarity	NPC141957
0.6832	Remote Similarity	NPC317362
0.6832	Remote Similarity	NPC318930
0.6828	Remote Similarity	NPC214988
0.6825	Remote Similarity	NPC81026
0.681	Remote Similarity	NPC248822
0.6791	Remote Similarity	NPC476661
0.6791	Remote Similarity	NPC476989
0.6789	Remote Similarity	NPC311658
0.6786	Remote Similarity	NPC24617

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC478005 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	418
0.2-0.3	669
0.3-0.4	1651
0.4-0.5	3261
0.5-0.6	2658
0.6-0.7	344
0.7-0.8	30
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
0.7487	Intermediate Similarity	NPD8303	Discontinued
0.7407	Intermediate Similarity	NPD7495	Discontinued
0.7407	Intermediate Similarity	NPD8019	Approved
0.7352	Intermediate Similarity	NPD6796	Discontinued
0.7282	Intermediate Similarity	NPD4652	Approved
0.7209	Intermediate Similarity	NPD3803	Clinical (unspecified phase)
0.7189	Intermediate Similarity	NPD6188	Approved
0.7189	Intermediate Similarity	NPD6189	Approved
0.7181	Intermediate Similarity	NPD7303	Discontinued
0.7173	Intermediate Similarity	NPD7118	Clinical (unspecified phase)
0.7165	Intermediate Similarity	NPD2098	Approved
0.7143	Intermediate Similarity	NPD2889	Approved
0.7143	Intermediate Similarity	NPD6187	Approved
0.7143	Intermediate Similarity	NPD2888	Approved
0.7143	Intermediate Similarity	NPD2890	Approved
0.7143	Intermediate Similarity	NPD3879	Approved
0.7143	Intermediate Similarity	NPD2017	Approved
0.7097	Intermediate Similarity	NPD3878	Approved
0.7075	Intermediate Similarity	NPD6254	Approved
0.7075	Intermediate Similarity	NPD6255	Approved
0.7075	Intermediate Similarity	NPD6256	Approved
0.7071	Intermediate Similarity	NPD5137	Approved
0.7062	Intermediate Similarity	NPD2097	Approved
0.7059	Intermediate Similarity	NPD6237	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD5946	Clinical (unspecified phase)
0.7053	Intermediate Similarity	NPD7523	Phase 3
0.7028	Intermediate Similarity	NPD6253	Approved
0.7011	Intermediate Similarity	NPD6866	Clinical (unspecified phase)
0.7011	Intermediate Similarity	NPD6867	Clinical (unspecified phase)
0.7005	Intermediate Similarity	NPD7617	Discontinued
0.699	Remote Similarity	NPD5218	Approved
0.699	Remote Similarity	NPD5219	Approved
0.698	Remote Similarity	NPD7695	Clinical (unspecified phase)
0.6976	Remote Similarity	NPD6853	Approved
0.6976	Remote Similarity	NPD6851	Approved
0.6935	Remote Similarity	NPD7608	Discontinued
0.6915	Remote Similarity	NPD5200	Clinical (unspecified phase)
0.6907	Remote Similarity	NPD7749	Clinical (unspecified phase)
0.6884	Remote Similarity	NPD6863	Phase 2
0.6863	Remote Similarity	NPD6297	Approved
0.6818	Remote Similarity	NPD4521	Clinical (unspecified phase)
0.6794	Remote Similarity	NPD4435	Approved
0.6794	Remote Similarity	NPD4157	Discontinued
0.6779	Remote Similarity	NPD6967	Phase 2
0.6755	Remote Similarity	NPD7978	Discontinued
0.6746	Remote Similarity	NPD4434	Approved
0.6746	Remote Similarity	NPD6089	Clinical (unspecified phase)
0.673	Remote Similarity	NPD6505	Approved
0.673	Remote Similarity	NPD6504	Approved
0.6728	Remote Similarity	NPD8162	Phase 2
0.6728	Remote Similarity	NPD8163	Clinical (unspecified phase)
0.6719	Remote Similarity	NPD6682	Clinical (unspecified phase)
0.6716	Remote Similarity	NPD7485	Phase 3
0.6716	Remote Similarity	NPD7484	Phase 3
0.6701	Remote Similarity	NPD7131	Phase 3
0.6697	Remote Similarity	NPD5152	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD7565	Approved
0.665	Remote Similarity	NPD5484	Approved
0.665	Remote Similarity	NPD5485	Approved
0.665	Remote Similarity	NPD2541	Clinical (unspecified phase)
0.6614	Remote Similarity	NPD7450	Phase 2
0.6598	Remote Similarity	NPD5348	Clinical (unspecified phase)
0.6587	Remote Similarity	NPD2852	Approved
0.6571	Remote Similarity	NPD6557	Phase 2
0.6564	Remote Similarity	NPD6390	Discontinued
0.6564	Remote Similarity	NPD6078	Clinical (unspecified phase)
0.6555	Remote Similarity	NPD7132	Clinical (unspecified phase)
0.6541	Remote Similarity	NPD3136	Phase 2
0.6533	Remote Similarity	NPD7827	Phase 1
0.6528	Remote Similarity	NPD3659	Discontinued
0.6524	Remote Similarity	NPD5323	Approved
0.6518	Remote Similarity	NPD2853	Approved
0.6515	Remote Similarity	NPD2891	Approved
0.6514	Remote Similarity	NPD7811	Phase 3
0.6514	Remote Similarity	NPD7810	Phase 3
0.6512	Remote Similarity	NPD6751	Clinical (unspecified phase)
0.6508	Remote Similarity	NPD6852	Discontinued
0.65	Remote Similarity	NPD4557	Approved
0.6497	Remote Similarity	NPD6670	Clinical (unspecified phase)
0.6492	Remote Similarity	NPD8076	Discontinued
0.6485	Remote Similarity	NPD8031	Discontinued
0.6481	Remote Similarity	NPD3473	Clinical (unspecified phase)
0.6479	Remote Similarity	NPD3335	Approved
0.6471	Remote Similarity	NPD3802	Phase 3
0.6468	Remote Similarity	NPD5967	Approved
0.6465	Remote Similarity	NPD3455	Phase 2
0.645	Remote Similarity	NPD5356	Approved
0.645	Remote Similarity	NPD2515	Approved
0.645	Remote Similarity	NPD5355	Approved
0.645	Remote Similarity	NPD3007	Approved
0.6445	Remote Similarity	NPD7281	Phase 3
0.6445	Remote Similarity	NPD7280	Phase 3
0.6435	Remote Similarity	NPD8318	Clinical (unspecified phase)
0.6425	Remote Similarity	NPD5265	Approved
0.6425	Remote Similarity	NPD5264	Approved
0.6422	Remote Similarity	NPD7133	Discontinued
0.6421	Remote Similarity	NPD6901	Phase 3
0.6419	Remote Similarity	NPD5076	Approved
0.6419	Remote Similarity	NPD5077	Approved
0.6417	Remote Similarity	NPD5299	Approved
0.6413	Remote Similarity	NPD7607	Clinical (unspecified phase)
0.6404	Remote Similarity	NPD8070	Approved
0.6402	Remote Similarity	NPD2856	Approved
0.6402	Remote Similarity	NPD2854	Approved
0.6402	Remote Similarity	NPD555	Phase 2
0.6402	Remote Similarity	NPD2855	Approved
0.64	Remote Similarity	NPD2513	Approved
0.64	Remote Similarity	NPD3591	Approved
0.64	Remote Similarity	NPD3592	Approved
0.6396	Remote Similarity	NPD7613	Discontinued
0.6392	Remote Similarity	NPD7066	Clinical (unspecified phase)
0.6386	Remote Similarity	NPD7494	Clinical (unspecified phase)
0.6386	Remote Similarity	NPD8255	Phase 2
0.6385	Remote Similarity	NPD3334	Approved
0.6383	Remote Similarity	NPD8292	Phase 2
0.6383	Remote Similarity	NPD4086	Phase 1
0.6378	Remote Similarity	NPD5613	Approved
0.6378	Remote Similarity	NPD7892	Clinical (unspecified phase)
0.6378	Remote Similarity	NPD2014	Approved
0.6378	Remote Similarity	NPD2016	Approved
0.6378	Remote Similarity	NPD5614	Approved
0.6378	Remote Similarity	NPD2013	Approved
0.6373	Remote Similarity	NPD6119	Clinical (unspecified phase)
0.6368	Remote Similarity	NPD4782	Clinical (unspecified phase)
0.6359	Remote Similarity	NPD2517	Approved
0.6357	Remote Similarity	NPD7655	Discontinued
0.6355	Remote Similarity	NPD3919	Approved
0.6355	Remote Similarity	NPD4951	Discontinued
0.6354	Remote Similarity	NPD3175	Clinical (unspecified phase)
0.6354	Remote Similarity	NPD2239	Approved
0.6354	Remote Similarity	NPD2240	Approved
0.635	Remote Similarity	NPD22	Approved
0.635	Remote Similarity	NPD2053	Approved
0.6347	Remote Similarity	NPD7282	Approved
0.6345	Remote Similarity	NPD3536	Discontinued
0.6345	Remote Similarity	NPD6419	Discontinued
0.6343	Remote Similarity	NPD5525	Clinical (unspecified phase)
0.634	Remote Similarity	NPD2976	Clinical (unspecified phase)
0.634	Remote Similarity	NPD6860	Clinical (unspecified phase)
0.6338	Remote Similarity	NPD6556	Clinical (unspecified phase)
0.6337	Remote Similarity	NPD5563	Clinical (unspecified phase)
0.6337	Remote Similarity	NPD5773	Approved
0.6337	Remote Similarity	NPD5772	Approved
0.6337	Remote Similarity	NPD7089	Clinical (unspecified phase)
0.6335	Remote Similarity	NPD6612	Phase 2
0.6332	Remote Similarity	NPD7836	Clinical (unspecified phase)
0.6332	Remote Similarity	NPD5267	Discontinued
0.633	Remote Similarity	NPD7669	Phase 3
0.6327	Remote Similarity	NPD8290	Clinical (unspecified phase)
0.6318	Remote Similarity	NPD6677	Suspended
0.6316	Remote Similarity	NPD8022	Clinical (unspecified phase)
0.6316	Remote Similarity	NPD8153	Approved
0.6316	Remote Similarity	NPD8152	Approved
0.6313	Remote Similarity	NPD3479	Discontinued
0.6311	Remote Similarity	NPD2516	Approved
0.6308	Remote Similarity	NPD5298	Clinical (unspecified phase)
0.6305	Remote Similarity	NPD7738	Approved
0.6305	Remote Similarity	NPD7737	Approved
0.63	Remote Similarity	NPD2052	Approved
0.6296	Remote Similarity	NPD259	Phase 1
0.6296	Remote Similarity	NPD6377	Clinical (unspecified phase)
0.6294	Remote Similarity	NPD3988	Approved
0.6294	Remote Similarity	NPD3987	Approved
0.6293	Remote Similarity	NPD6315	Phase 2
0.6292	Remote Similarity	NPD7807	Clinical (unspecified phase)
0.6289	Remote Similarity	NPD5341	Clinical (unspecified phase)
0.6283	Remote Similarity	NPD6073	Approved
0.6276	Remote Similarity	NPD8323	Discontinued
0.6269	Remote Similarity	NPD9570	Approved
0.6267	Remote Similarity	NPD5042	Phase 1
0.6263	Remote Similarity	NPD4153	Approved
0.6263	Remote Similarity	NPD4791	Clinical (unspecified phase)
0.6263	Remote Similarity	NPD4739	Approved
0.626	Remote Similarity	NPD7486	Phase 1
0.6256	Remote Similarity	NPD2977	Approved
0.6256	Remote Similarity	NPD4566	Approved
0.6256	Remote Similarity	NPD4413	Clinical (unspecified phase)
0.6256	Remote Similarity	NPD2978	Approved
0.6256	Remote Similarity	NPD4567	Approved
0.625	Remote Similarity	NPD5852	Approved
0.625	Remote Similarity	NPD4648	Approved
0.625	Remote Similarity	NPD5851	Approved
0.625	Remote Similarity	NPD4126	Approved
0.625	Remote Similarity	NPD4646	Approved
0.625	Remote Similarity	NPD4647	Approved
0.6238	Remote Similarity	NPD6620	Discovery
0.6237	Remote Similarity	NPD2087	Approved
0.6237	Remote Similarity	NPD2088	Approved
0.6237	Remote Similarity	NPD6809	Clinical (unspecified phase)
0.6234	Remote Similarity	NPD5561	Approved
0.6234	Remote Similarity	NPD5562	Approved
0.6234	Remote Similarity	NPD8149	Discontinued
0.6231	Remote Similarity	NPD5638	Approved
0.6226	Remote Similarity	NPD5445	Approved
0.6223	Remote Similarity	NPD4125	Approved
0.6218	Remote Similarity	NPD6865	Phase 2
0.6218	Remote Similarity	NPD6864	Phase 2
0.6213	Remote Similarity	NPD8356	Approved
0.6212	Remote Similarity	NPD6088	Approved
0.6211	Remote Similarity	NPD5729	Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID
ChEMBL	CHEMBL3314798
ZINC

Physicochemical Properties

Molecular Weight:	840.31
ALogP:	-5.1029
MLogP:	3.33
XLogP:	-0.935
# Rotatable Bonds:	32
Polar Surface Area:	341.55
# H-Bond Aceptor:	18
# H-Bond Donor:	10
# Rings:	4
# Heavy Atoms:	59

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