NPASS Natural Product

Natural Product: NPC19342

Natural Product ID:	NPC19342
Common Name:	Nagelamide G
IUPAC Name:	N-[[(5S,6R,7S)-2-amino-7-(2-amino-1H-imidazol-5-yl)-6-[[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
Synonyms:	Nagelamide G
Molecular Formula:	C22H22Br4N10O2
Standard InCHIKey:	VOGBZMFIZJPYAJ-PISXGGPESA-N
Standard InCHI:	InChI=1S/C22H22Br4N10O2/c23-9-2-12(32-17(9)25)19(37)29-4-7-1-11-16(36-22(28)34-11)15(14-6-31-21(27)35-14)8(7)5-30-20(38)13-3-10(24)18(26)33-13/h2-3,6-8,15,32-33H,1,4-5H2,(H,29,37)(H,30,38)(H3,27,31,35)(H3,28,34,36)/t7-,8-,15+/m1/s1
Canonical SMILES:	N=c1[nH]cc([nH]1)[C@@H]1[C@H](CNC(=O)c2[nH]c(c(c2)Br)Br)[C@@H](CNC(=O)c2[nH]c(c(c2)Br)Br)Cc2c1[nH]c(=N)[nH]2
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
NPO32675	agelas sp.	Species	Agelasidae	Eukaryota				PMID[15332839]

Biological Activity

Activity Type	# Activity
IC50	1
MIC	3

Activity Type	# Activity
Organism	3
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT729	Organism	Micrococcus luteus	Micrococcus luteus	MIC	=	2.08	ug/ml	18299196
NPT2	Others	Unspecified		IC50	=	13000	nM	Open TG-GATES in vivo data: Biochemistry
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	16.7	ug/ml	16137881
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	33.3	ug/ml	DrugMatrix in vitro pharmacology data

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 NPC19342 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	539
0.1-0.2	9143
0.2-0.3	15573
0.3-0.4	2528
0.4-0.5	1766
0.5-0.6	1034
0.6-0.7	244
0.7-0.8	36
0.8-0.85	12
0.85-0.9	4
0.9-0.95	6
0.95-1	4

Similarity Score	Similarity Level	Natural Product ID
0.9649	High Similarity	NPC111566
0.9605	High Similarity	NPC136957
0.9605	High Similarity	NPC19696
0.9593	High Similarity	NPC310633
0.9492	High Similarity	NPC174281
0.9492	High Similarity	NPC475286
0.9422	High Similarity	NPC63571
0.9218	High Similarity	NPC329765
0.9218	High Similarity	NPC48117
0.9218	High Similarity	NPC476526
0.8967	High Similarity	NPC9635
0.886	High Similarity	NPC469717
0.8667	High Similarity	NPC476527
0.8605	High Similarity	NPC206148
0.8421	Intermediate Similarity	NPC469716
0.8362	Intermediate Similarity	NPC469976
0.8299	Intermediate Similarity	NPC476524
0.8299	Intermediate Similarity	NPC476525
0.8182	Intermediate Similarity	NPC73687
0.8056	Intermediate Similarity	NPC28096
0.8056	Intermediate Similarity	NPC54214
0.8056	Intermediate Similarity	NPC476421
0.8056	Intermediate Similarity	NPC227489
0.8043	Intermediate Similarity	NPC184932
0.8043	Intermediate Similarity	NPC472861
0.8022	Intermediate Similarity	NPC136441
0.7956	Intermediate Similarity	NPC226835
0.7877	Intermediate Similarity	NPC476418
0.7772	Intermediate Similarity	NPC37268
0.7717	Intermediate Similarity	NPC271927
0.7676	Intermediate Similarity	NPC97106
0.7672	Intermediate Similarity	NPC469814
0.7622	Intermediate Similarity	NPC80528
0.7543	Intermediate Similarity	NPC260041
0.75	Intermediate Similarity	NPC474696
0.7449	Intermediate Similarity	NPC476414
0.7446	Intermediate Similarity	NPC2414
0.7398	Intermediate Similarity	NPC476413
0.7368	Intermediate Similarity	NPC150592
0.736	Intermediate Similarity	NPC188821
0.736	Intermediate Similarity	NPC474180
0.733	Intermediate Similarity	NPC314281
0.733	Intermediate Similarity	NPC40530
0.73	Intermediate Similarity	NPC474389
0.7289	Intermediate Similarity	NPC66642
0.7231	Intermediate Similarity	NPC46022
0.7231	Intermediate Similarity	NPC112489
0.7225	Intermediate Similarity	NPC470703
0.7209	Intermediate Similarity	NPC20021
0.7177	Intermediate Similarity	NPC473218
0.7177	Intermediate Similarity	NPC470702
0.7174	Intermediate Similarity	NPC27296
0.7172	Intermediate Similarity	NPC210123
0.7158	Intermediate Similarity	NPC474236
0.7094	Intermediate Similarity	NPC477004
0.7074	Intermediate Similarity	NPC474383
0.7062	Intermediate Similarity	NPC16659
0.7047	Intermediate Similarity	NPC473380
0.7047	Intermediate Similarity	NPC240088
0.7021	Intermediate Similarity	NPC306160
0.701	Intermediate Similarity	NPC265710
0.7005	Intermediate Similarity	NPC476423
0.699	Remote Similarity	NPC270834
0.698	Remote Similarity	NPC46811
0.6968	Remote Similarity	NPC470323
0.6915	Remote Similarity	NPC473706
0.6906	Remote Similarity	NPC474357
0.6893	Remote Similarity	NPC77241
0.6893	Remote Similarity	NPC166209
0.6893	Remote Similarity	NPC13456
0.6893	Remote Similarity	NPC269203
0.6865	Remote Similarity	NPC472260
0.6861	Remote Similarity	NPC935
0.6861	Remote Similarity	NPC267078
0.6856	Remote Similarity	NPC186068
0.6854	Remote Similarity	NPC469715
0.6845	Remote Similarity	NPC220797
0.6845	Remote Similarity	NPC474318
0.6845	Remote Similarity	NPC153123
0.6845	Remote Similarity	NPC475914
0.6845	Remote Similarity	NPC268744
0.6845	Remote Similarity	NPC201266
0.6834	Remote Similarity	NPC133003
0.6806	Remote Similarity	NPC233380
0.6789	Remote Similarity	NPC474195
0.6784	Remote Similarity	NPC477003
0.6774	Remote Similarity	NPC475736
0.6749	Remote Similarity	NPC476460
0.6742	Remote Similarity	NPC474196
0.6734	Remote Similarity	NPC470205
0.6733	Remote Similarity	NPC473666
0.6726	Remote Similarity	NPC156003
0.6714	Remote Similarity	NPC317701
0.6713	Remote Similarity	NPC50562
0.6702	Remote Similarity	NPC253687
0.67	Remote Similarity	NPC324091
0.6682	Remote Similarity	NPC67658
0.6667	Remote Similarity	NPC247987
0.6667	Remote Similarity	NPC116555
0.665	Remote Similarity	NPC117027
0.6634	Remote Similarity	NPC135601
0.6634	Remote Similarity	NPC141612
0.6634	Remote Similarity	NPC17273
0.6633	Remote Similarity	NPC161861
0.6631	Remote Similarity	NPC471655
0.6617	Remote Similarity	NPC21429
0.6604	Remote Similarity	NPC473376
0.6603	Remote Similarity	NPC237414
0.6601	Remote Similarity	NPC473946
0.6584	Remote Similarity	NPC99939
0.6584	Remote Similarity	NPC474258
0.6584	Remote Similarity	NPC308931
0.6575	Remote Similarity	NPC267811
0.655	Remote Similarity	NPC477042
0.655	Remote Similarity	NPC234403
0.6544	Remote Similarity	NPC477413
0.6522	Remote Similarity	NPC114033
0.6522	Remote Similarity	NPC101130
0.6522	Remote Similarity	NPC129412
0.6522	Remote Similarity	NPC58268
0.6517	Remote Similarity	NPC307191
0.6505	Remote Similarity	NPC243716
0.6502	Remote Similarity	NPC175150
0.6502	Remote Similarity	NPC243633
0.6495	Remote Similarity	NPC274981
0.6476	Remote Similarity	NPC69843
0.6476	Remote Similarity	NPC171317
0.6474	Remote Similarity	NPC232798
0.6468	Remote Similarity	NPC79777
0.6465	Remote Similarity	NPC477611
0.6464	Remote Similarity	NPC291517
0.6459	Remote Similarity	NPC79356
0.6459	Remote Similarity	NPC102592
0.645	Remote Similarity	NPC284775
0.6447	Remote Similarity	NPC471943
0.6442	Remote Similarity	NPC304203
0.6441	Remote Similarity	NPC168209
0.6438	Remote Similarity	NPC282247
0.6425	Remote Similarity	NPC474492
0.6422	Remote Similarity	NPC320968
0.641	Remote Similarity	NPC201831
0.641	Remote Similarity	NPC17487
0.64	Remote Similarity	NPC151635
0.6386	Remote Similarity	NPC88110
0.6386	Remote Similarity	NPC91179
0.6383	Remote Similarity	NPC477108
0.6383	Remote Similarity	NPC477107
0.6383	Remote Similarity	NPC477109
0.6374	Remote Similarity	NPC23215
0.6373	Remote Similarity	NPC110158
0.6368	Remote Similarity	NPC52110
0.6364	Remote Similarity	NPC326422
0.6364	Remote Similarity	NPC54744
0.6359	Remote Similarity	NPC17059
0.6345	Remote Similarity	NPC109447
0.6339	Remote Similarity	NPC292434
0.6339	Remote Similarity	NPC200397
0.6339	Remote Similarity	NPC138596
0.6339	Remote Similarity	NPC64661
0.6339	Remote Similarity	NPC195704
0.6339	Remote Similarity	NPC14448
0.6339	Remote Similarity	NPC167200
0.6339	Remote Similarity	NPC98156
0.633	Remote Similarity	NPC204141
0.6329	Remote Similarity	NPC213629
0.6321	Remote Similarity	NPC142688
0.6321	Remote Similarity	NPC74357
0.6318	Remote Similarity	NPC471194
0.6318	Remote Similarity	NPC471193
0.6316	Remote Similarity	NPC477167
0.6316	Remote Similarity	NPC473342
0.6316	Remote Similarity	NPC304187
0.6316	Remote Similarity	NPC477166
0.6311	Remote Similarity	NPC94752
0.6308	Remote Similarity	NPC100104
0.6308	Remote Similarity	NPC470680
0.6305	Remote Similarity	NPC182940
0.6294	Remote Similarity	NPC280864
0.6294	Remote Similarity	NPC17751
0.6293	Remote Similarity	NPC228835
0.6293	Remote Similarity	NPC108011
0.629	Remote Similarity	NPC169308
0.629	Remote Similarity	NPC3698
0.629	Remote Similarity	NPC302717
0.629	Remote Similarity	NPC129753
0.629	Remote Similarity	NPC97230
0.629	Remote Similarity	NPC12831
0.629	Remote Similarity	NPC205604
0.629	Remote Similarity	NPC286529
0.629	Remote Similarity	NPC48171
0.629	Remote Similarity	NPC74928
0.629	Remote Similarity	NPC244087
0.629	Remote Similarity	NPC59839
0.629	Remote Similarity	NPC209281
0.629	Remote Similarity	NPC77582
0.6286	Remote Similarity	NPC221726
0.6286	Remote Similarity	NPC225622
0.6286	Remote Similarity	NPC477414
0.6274	Remote Similarity	NPC167710
0.6273	Remote Similarity	NPC72956

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC19342 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	294
0.1-0.2	890
0.2-0.3	1643
0.3-0.4	2424
0.4-0.5	2510
0.5-0.6	1281
0.6-0.7	118
0.7-0.8	1
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
0.73	Intermediate Similarity	NPD7459	Phase 2
0.6825	Remote Similarity	NPD2443	Approved
0.6825	Remote Similarity	NPD2442	Approved
0.678	Remote Similarity	NPD2289	Phase 3
0.678	Remote Similarity	NPD2290	Phase 3
0.6714	Remote Similarity	NPD7704	Clinical (unspecified phase)
0.67	Remote Similarity	NPD5686	Approved
0.67	Remote Similarity	NPD5685	Approved
0.6651	Remote Similarity	NPD5643	Phase 2
0.6636	Remote Similarity	NPD2408	Discontinued
0.662	Remote Similarity	NPD8493	Clinical (unspecified phase)
0.6573	Remote Similarity	NPD2008	Discontinued
0.6542	Remote Similarity	NPD1506	Discontinued
0.6522	Remote Similarity	NPD460	Discontinued
0.6516	Remote Similarity	NPD5199	Approved
0.6516	Remote Similarity	NPD5198	Approved
0.6507	Remote Similarity	NPD2880	Discontinued
0.6505	Remote Similarity	NPD5592	Clinical (unspecified phase)
0.6481	Remote Similarity	NPD1600	Suspended
0.6476	Remote Similarity	NPD1982	Phase 1
0.6468	Remote Similarity	NPD2411	Approved
0.6462	Remote Similarity	NPD6837	Clinical (unspecified phase)
0.6445	Remote Similarity	NPD2405	Phase 3
0.6439	Remote Similarity	NPD2009	Clinical (unspecified phase)
0.6425	Remote Similarity	NPD6180	Clinical (unspecified phase)
0.6413	Remote Similarity	NPD6579	Phase 2
0.6393	Remote Similarity	NPD7657	Approved
0.6393	Remote Similarity	NPD7656	Approved
0.639	Remote Similarity	NPD5820	Clinical (unspecified phase)
0.6372	Remote Similarity	NPD6288	Clinical (unspecified phase)
0.6351	Remote Similarity	NPD8257	Approved
0.6351	Remote Similarity	NPD8256	Approved
0.6351	Remote Similarity	NPD8258	Clinical (unspecified phase)
0.6335	Remote Similarity	NPD7971	Clinical (unspecified phase)
0.6335	Remote Similarity	NPD7970	Approved
0.6332	Remote Similarity	NPD3347	Clinical (unspecified phase)
0.6324	Remote Similarity	NPD3319	Phase 1
0.6324	Remote Similarity	NPD3320	Approved
0.6324	Remote Similarity	NPD3318	Approved
0.6313	Remote Similarity	NPD6328	Clinical (unspecified phase)
0.6308	Remote Similarity	NPD5017	Discontinued
0.6286	Remote Similarity	NPD5274	Clinical (unspecified phase)
0.6283	Remote Similarity	NPD5001	Clinical (unspecified phase)
0.6274	Remote Similarity	NPD5446	Phase 2
0.6274	Remote Similarity	NPD1952	Discontinued
0.6256	Remote Similarity	NPD2590	Clinical (unspecified phase)
0.6256	Remote Similarity	NPD5853	Phase 3
0.6256	Remote Similarity	NPD5855	Phase 3
0.625	Remote Similarity	NPD9343	Clinical (unspecified phase)
0.625	Remote Similarity	NPD6470	Phase 3
0.6238	Remote Similarity	NPD7098	Clinical (unspecified phase)
0.6233	Remote Similarity	NPD7817	Phase 1
0.6232	Remote Similarity	NPD4426	Clinical (unspecified phase)
0.6227	Remote Similarity	NPD7809	Clinical (unspecified phase)
0.6215	Remote Similarity	NPD5854	Approved
0.621	Remote Similarity	NPD6459	Phase 2
0.6202	Remote Similarity	NPD3246	Discontinued
0.6197	Remote Similarity	NPD6664	Approved
0.6193	Remote Similarity	NPD3967	Approved
0.6184	Remote Similarity	NPD7717	Approved
0.6184	Remote Similarity	NPD7716	Approved
0.6168	Remote Similarity	NPD465	Clinical (unspecified phase)
0.6164	Remote Similarity	NPD3410	Approved
0.6164	Remote Similarity	NPD3411	Phase 2
0.6158	Remote Similarity	NPD2367	Phase 2
0.6157	Remote Similarity	NPD3891	Phase 2
0.6157	Remote Similarity	NPD3890	Phase 2
0.6154	Remote Similarity	NPD6465	Phase 2
0.615	Remote Similarity	NPD569	Clinical (unspecified phase)
0.6127	Remote Similarity	NPD7865	Approved
0.6126	Remote Similarity	NPD4863	Approved
0.6124	Remote Similarity	NPD3486	Clinical (unspecified phase)
0.6123	Remote Similarity	NPD6210	Phase 3
0.6117	Remote Similarity	NPD3178	Discontinued
0.6117	Remote Similarity	NPD1783	Clinical (unspecified phase)
0.6114	Remote Similarity	NPD1658	Discontinued
0.6109	Remote Similarity	NPD3968	Approved
0.6104	Remote Similarity	NPD6165	Phase 2
0.6104	Remote Similarity	NPD6164	Phase 2
0.6103	Remote Similarity	NPD7618	Phase 3
0.6103	Remote Similarity	NPD7619	Phase 3
0.6085	Remote Similarity	NPD4922	Phase 2
0.6076	Remote Similarity	NPD3360	Clinical (unspecified phase)
0.6068	Remote Similarity	NPD5473	Discontinued
0.6065	Remote Similarity	NPD7621	Clinical (unspecified phase)
0.6058	Remote Similarity	NPD1096	Discontinued
0.6058	Remote Similarity	NPD3607	Clinical (unspecified phase)
0.6055	Remote Similarity	NPD6269	Clinical (unspecified phase)
0.6055	Remote Similarity	NPD6268	Phase 1
0.6054	Remote Similarity	NPD8013	Clinical (unspecified phase)
0.6053	Remote Similarity	NPD2007	Clinical (unspecified phase)
0.6045	Remote Similarity	NPD4559	Clinical (unspecified phase)
0.6045	Remote Similarity	NPD6271	Approved
0.6043	Remote Similarity	NPD8047	Clinical (unspecified phase)
0.6036	Remote Similarity	NPD2819	Clinical (unspecified phase)
0.6035	Remote Similarity	NPD4541	Clinical (unspecified phase)
0.6028	Remote Similarity	NPD7406	Phase 2
0.6026	Remote Similarity	NPD8316	Phase 2
0.6026	Remote Similarity	NPD8317	Phase 2
0.602	Remote Similarity	NPD2392	Clinical (unspecified phase)
0.6019	Remote Similarity	NPD3077	Approved
0.6019	Remote Similarity	NPD1284	Clinical (unspecified phase)
0.6019	Remote Similarity	NPD3076	Approved
0.6019	Remote Similarity	NPD3078	Approved
0.6019	Remote Similarity	NPD3079	Approved
0.6018	Remote Similarity	NPD8322	Phase 2
0.6018	Remote Similarity	NPD3353	Approved
0.6009	Remote Similarity	NPD1896	Approved
0.6	Remote Similarity	NPD7027	Phase 3
0.6	Remote Similarity	NPD7208	Approved
0.6	Remote Similarity	NPD7026	Phase 2
0.6	Remote Similarity	NPD5426	Phase 3
0.6	Remote Similarity	NPD7209	Approved
0.6	Remote Similarity	NPD4299	Phase 1
0.6	Remote Similarity	NPD2363	Discontinued
0.6	Remote Similarity	NPD3247	Clinical (unspecified phase)
0.6	Remote Similarity	NPD4075	Phase 2
0.6	Remote Similarity	NPD7207	Approved
0.6	Remote Similarity	NPD3834	Clinical (unspecified phase)
0.5991	Remote Similarity	NPD2787	Clinical (unspecified phase)
0.5991	Remote Similarity	NPD5887	Clinical (unspecified phase)
0.599	Remote Similarity	NPD5962	Phase 2
0.5982	Remote Similarity	NPD3915	Approved
0.5982	Remote Similarity	NPD2881	Approved
0.5982	Remote Similarity	NPD6802	Phase 3
0.5982	Remote Similarity	NPD2879	Approved
0.5973	Remote Similarity	NPD4395	Phase 1
0.5972	Remote Similarity	NPD3961	Discontinued
0.5972	Remote Similarity	NPD4988	Discontinued
0.5971	Remote Similarity	NPD3041	Approved
0.5964	Remote Similarity	NPD5510	Approved
0.5962	Remote Similarity	NPD1895	Discontinued
0.5961	Remote Similarity	NPD1575	Approved
0.5961	Remote Similarity	NPD1573	Approved
0.5956	Remote Similarity	NPD3917	Approved
0.5956	Remote Similarity	NPD3918	Approved
0.5956	Remote Similarity	NPD3916	Clinical (unspecified phase)
0.5951	Remote Similarity	NPD4883	Approved
0.5951	Remote Similarity	NPD4736	Clinical (unspecified phase)
0.5949	Remote Similarity	NPD971	Clinical (unspecified phase)
0.5945	Remote Similarity	NPD2947	Clinical (unspecified phase)
0.5943	Remote Similarity	NPD7175	Phase 1
0.5943	Remote Similarity	NPD1250	Clinical (unspecified phase)
0.5941	Remote Similarity	NPD438	Approved
0.5941	Remote Similarity	NPD439	Approved
0.5936	Remote Similarity	NPD7903	Clinical (unspecified phase)
0.5931	Remote Similarity	NPD6828	Phase 2
0.5931	Remote Similarity	NPD6827	Clinical (unspecified phase)
0.5928	Remote Similarity	NPD8169	Discontinued
0.5928	Remote Similarity	NPD8115	Approved
0.5928	Remote Similarity	NPD8114	Approved
0.5928	Remote Similarity	NPD8098	Approved
0.5926	Remote Similarity	NPD7023	Clinical (unspecified phase)
0.5926	Remote Similarity	NPD1871	Approved
0.5924	Remote Similarity	NPD4940	Approved
0.5924	Remote Similarity	NPD6986	Phase 1
0.5922	Remote Similarity	NPD4385	Clinical (unspecified phase)
0.592	Remote Similarity	NPD3583	Phase 2
0.5919	Remote Similarity	NPD8399	Phase 1
0.5919	Remote Similarity	NPD8423	Phase 2
0.5913	Remote Similarity	NPD1996	Discontinued
0.5913	Remote Similarity	NPD3927	Phase 2
0.5909	Remote Similarity	NPD4134	Clinical (unspecified phase)
0.5907	Remote Similarity	NPD175	Clinical (unspecified phase)
0.5907	Remote Similarity	NPD3460	Discontinued
0.5905	Remote Similarity	NPD6850	Phase 2
0.5905	Remote Similarity	NPD7564	Discontinued
0.5905	Remote Similarity	NPD6752	Phase 1
0.5905	Remote Similarity	NPD6753	Phase 1
0.5905	Remote Similarity	NPD6849	Phase 2
0.5901	Remote Similarity	NPD7568	Phase 1
0.5901	Remote Similarity	NPD5491	Phase 3
0.5901	Remote Similarity	NPD5489	Phase 1
0.5891	Remote Similarity	NPD1568	Clinical (unspecified phase)
0.5887	Remote Similarity	NPD4854	Phase 3
0.5885	Remote Similarity	NPD8097	Phase 3
0.5885	Remote Similarity	NPD8458	Clinical (unspecified phase)
0.5885	Remote Similarity	NPD8096	Phase 3
0.588	Remote Similarity	NPD5987	Approved
0.588	Remote Similarity	NPD5986	Approved
0.5878	Remote Similarity	NPD4558	Phase 2
0.5874	Remote Similarity	NPD3905	Phase 3
0.5872	Remote Similarity	NPD7888	Approved
0.5872	Remote Similarity	NPD7887	Approved
0.5872	Remote Similarity	NPD7204	Clinical (unspecified phase)
0.5871	Remote Similarity	NPD6771	Discontinued
0.587	Remote Similarity	NPD1031	Discontinued
0.5869	Remote Similarity	NPD5016	Approved
0.5867	Remote Similarity	NPD3833	Phase 3
0.5867	Remote Similarity	NPD3835	Phase 3
0.5867	Remote Similarity	NPD7998	Clinical (unspecified phase)
0.5865	Remote Similarity	NPD2930	Clinical (unspecified phase)
0.5864	Remote Similarity	NPD7727	Phase 2
0.5862	Remote Similarity	NPD4643	Clinical (unspecified phase)
0.586	Remote Similarity	NPD803	Phase 1
0.586	Remote Similarity	NPD5974	Approved
0.586	Remote Similarity	NPD5973	Phase 2
0.5859	Remote Similarity	NPD2061	Approved
0.5859	Remote Similarity	NPD8488	Clinical (unspecified phase)
0.5857	Remote Similarity	NPD5728	Clinical (unspecified phase)

Structure

NPC19342 OpenBabel07101719142D 38 42 0 0 1 0 0 0 0 0999 V2000 -2.5316 -0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6336 -3.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1407 -5.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5497 -1.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9316 -2.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8465 -1.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6361 -1.4013 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8271 -1.9890 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0403 -4.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1896 -6.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3767 -2.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1407 -4.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1045 -2.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9135 -1.5823 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8090 -0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0349 -4.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6018 -5.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2722 -1.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9497 -4.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8465 -3.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5403 -5.0702 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8806 -7.2327 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -6.7040 -4.8428 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3982 -5.4726 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.1555 -4.4302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2788 1.7601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3587 -1.2202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8452 -3.3903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4343 -2.6701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2428 -3.1215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1896 -4.6636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 0.9511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1045 -3.1701 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 -6.0812 -1.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8632 -4.7916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 9 1 0 0 0 0 2 12 2 0 0 0 0 3 10 1 0 0 0 0 3 13 2 0 0 0 0 4 29 1 0 0 0 0 5 30 1 0 0 0 0 6 14 2 0 0 0 0 6 31 1 0 0 0 0 7 4 1 1 0 0 0 7 8 1 0 0 0 0 8 5 1 6 0 0 0 8 15 1 0 0 0 0 9 17 2 0 0 0 0 9 23 1 0 0 0 0 10 18 2 0 0 0 0 10 24 1 0 0 0 0 11 16 2 0 0 0 0 11 34 1 0 0 0 0 12 19 1 0 0 0 0 12 32 1 0 0 0 0 13 20 1 0 0 0 0 13 33 1 0 0 0 0 14 35 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 16 36 1 0 0 0 0 17 25 1 0 0 0 0 17 32 1 0 0 0 0 18 26 1 0 0 0 0 18 33 1 0 0 0 0 19 29 1 0 0 0 0 19 37 2 0 0 0 0 20 30 1 0 0 0 0 20 38 2 0 0 0 0 21 27 2 0 0 0 0 21 31 1 0 0 0 0 21 35 1 0 0 0 0 22 28 2 0 0 0 0 22 34 1 0 0 0 0 22 36 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	11262829
ChEMBL	CHEMBL1162473
ZINC

Physicochemical Properties

Molecular Weight:	773.87
ALogP:	-1.2681
MLogP:	2.12
XLogP:	4.632
# Rotatable Bonds:	13
Polar Surface Area:	185.6
# H-Bond Aceptor:	12
# H-Bond Donor:	10
# Rings:	5
# Heavy Atoms:	38

Download Data

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