NPASS Natural Product

Natural Product: NPC32858

Natural Product ID:	NPC32858
Common Name:	Glimepiride
IUPAC Name:
Synonyms:	Amaryl; Glimepiride; HOE-490; Niddaryl
Molecular Formula:	C24H34N4O5S
Standard InCHIKey:	WIGIZIANZCJQQY-RUCARUNLSA-N
Standard InCHI:	InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)/t16-,19-
Canonical SMILES:	CCC1=C(C)CN(C1=O)C(=NCCc1ccc(cc1)S(=O)(=O)NC(=N[C@@H]1CC[C@H](CC1)C)O)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO29553	Hordei fructus germinatus	NA	NA	NA	TCMSP*
NPO1771	Rose rugosae flos	NA	NA	NA	TCMSP*
NPO16497	Trichosanthes kirilowii maxim	Species	Cucurbitaceae	Eukaryota	TCMSP*
NPO5645	Silybum marianum	Species	Asteraceae	Eukaryota	TCMSP*
NPO29587	Euryales semen	NA	NA	NA	TCMSP*
NPO3724	Amomum neoaurantiacum	Species	Zingiberaceae	Eukaryota	TCMSP*
NPO6444	Humulus scandens	Species	Cannabaceae	Eukaryota	TCMSP*
NPO26902	Vigna radiata	Species	Fabaceae	Eukaryota	TCMSP*

Biological Activity

Activity Type	# Activity
AC50	2
ED50	1
IC50	2
Ki	1
Others	15
Potency	18

Activity Type	# Activity
Individual Protein	9
Organism	6
Others	23
Protein-Protein Interaction	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ED50	=	0.182	mg/kg	9857091
NPT2	Others	Unspecified		FC	=	2.5		19216076
NPT2	Others	Unspecified		FC	=	2.03		19216076
NPT2	Others	Unspecified		Activity	=	48.14	uIU/ml	19216076
NPT2	Others	Unspecified		Activity	=	5061.2	disintegrations/minute	19216076
NPT2	Others	Unspecified		Activity	=	6365.67	disintegrations/minute	19216076
NPT2	Others	Unspecified		Activity	=	7476.6	disintegrations/minute	19216076
NPT2	Others	Unspecified		Activity	=	8593.72	disintegrations/minute	19216076
NPT2	Others	Unspecified		Activity	=	11068.51	disintegrations/minute	19216076
NPT2	Others	Unspecified		Activity	=	13255.41	disintegrations/minute	19216076
NPT605	Organism	Homo sapiens	Homo sapiens	Activity	=	1	%	19243175
NPT612	Individual Protein	Canalicular multispecific organic anion transporter 1	Homo sapiens	Activity	=	142	%	18457386
NPT197	Protein-Protein Interaction	Menin/Histone-lysine N-methyltransferase MLL	Homo sapiens	Potency	=	15848.9	nM	PubChem BioAssay data set
NPT55	Individual Protein	Putative fructose-1,6-bisphosphate aldolase	Giardia intestinalis	Potency	=	19905.4	nM	PubChem BioAssay data set
NPT531	Individual Protein	Nuclear receptor ROR-gamma	Mus musculus	Potency	=	10000	nM	PubChem BioAssay data set
NPT61	Individual Protein	Beta-glucocerebrosidase	Homo sapiens	Potency		17782.8	nM	PubChem BioAssay data set
NPT152	Individual Protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency		18356.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		11220.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		IC50	=	100	nM	DrugMatrix in vitro pharmacology data
NPT2	Others	Unspecified		Ki	=	11	nM	DrugMatrix in vitro pharmacology data
NPT10	Individual Protein	Geminin	Homo sapiens	Potency		11220.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		580.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		21131.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		11985.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		2113.2	nM	PubChem BioAssay data set
NPT152	Individual Protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency		33488.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		6681.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		3790.2	nM	PubChem BioAssay data set
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	Potency		5353.8	nM	PubChem BioAssay data set
NPT11	Individual Protein	Guanine nucleotide-binding protein G(s), subunit alpha	Homo sapiens	Potency		31622.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		9520.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		22387.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		AC50		1780	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		AC50		1000	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		IC50		4.06	nM	PubChem BioAssay data set
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Inhibition	=	7.86	%	26920798

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 NPC32858 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	99
0.1-0.2	1293
0.2-0.3	8333
0.3-0.4	15576
0.4-0.5	4759
0.5-0.6	743
0.6-0.7	84
0.7-0.8	1
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC194857
0.7236	Intermediate Similarity	NPC317400
0.6861	Remote Similarity	NPC470544
0.6846	Remote Similarity	NPC132636
0.6812	Remote Similarity	NPC470545
0.6763	Remote Similarity	NPC470546
0.6739	Remote Similarity	NPC239357
0.6713	Remote Similarity	NPC22746
0.6642	Remote Similarity	NPC476048
0.6621	Remote Similarity	NPC477937
0.662	Remote Similarity	NPC71684
0.6617	Remote Similarity	NPC471447
0.6571	Remote Similarity	NPC476440
0.6562	Remote Similarity	NPC471319
0.6562	Remote Similarity	NPC471320
0.6549	Remote Similarity	NPC200964
0.6541	Remote Similarity	NPC143516
0.6496	Remote Similarity	NPC181390
0.6496	Remote Similarity	NPC475013
0.6493	Remote Similarity	NPC130898
0.6493	Remote Similarity	NPC474973
0.6493	Remote Similarity	NPC45033
0.6493	Remote Similarity	NPC474804
0.6486	Remote Similarity	NPC300315
0.6475	Remote Similarity	NPC33742
0.6457	Remote Similarity	NPC473661
0.6454	Remote Similarity	NPC254088
0.6439	Remote Similarity	NPC329375
0.6438	Remote Similarity	NPC101719
0.6433	Remote Similarity	NPC313850
0.6419	Remote Similarity	NPC111428
0.6419	Remote Similarity	NPC473322
0.6418	Remote Similarity	NPC473418
0.6414	Remote Similarity	NPC6975
0.6405	Remote Similarity	NPC89489
0.6403	Remote Similarity	NPC35850
0.6403	Remote Similarity	NPC276949
0.64	Remote Similarity	NPC325479
0.6389	Remote Similarity	NPC202521
0.6376	Remote Similarity	NPC200589
0.637	Remote Similarity	NPC222466
0.6357	Remote Similarity	NPC246904
0.6357	Remote Similarity	NPC108339
0.6333	Remote Similarity	NPC255447
0.6319	Remote Similarity	NPC476990
0.6319	Remote Similarity	NPC27833
0.6306	Remote Similarity	NPC322878
0.6294	Remote Similarity	NPC220698
0.6277	Remote Similarity	NPC473676
0.6235	Remote Similarity	NPC286551
0.6233	Remote Similarity	NPC252878
0.6231	Remote Similarity	NPC256452
0.6225	Remote Similarity	NPC126458
0.6222	Remote Similarity	NPC275467
0.6216	Remote Similarity	NPC79698
0.6197	Remote Similarity	NPC473573
0.619	Remote Similarity	NPC305602
0.619	Remote Similarity	NPC46427
0.619	Remote Similarity	NPC17497
0.6154	Remote Similarity	NPC315276
0.6154	Remote Similarity	NPC285926
0.6154	Remote Similarity	NPC14672
0.6136	Remote Similarity	NPC472258
0.6133	Remote Similarity	NPC319766
0.6125	Remote Similarity	NPC311658
0.6118	Remote Similarity	NPC130309
0.6108	Remote Similarity	NPC469243
0.6104	Remote Similarity	NPC141050
0.6103	Remote Similarity	NPC469974
0.6099	Remote Similarity	NPC474584
0.6093	Remote Similarity	NPC165726
0.6093	Remote Similarity	NPC213969
0.6076	Remote Similarity	NPC468984
0.6065	Remote Similarity	NPC314835
0.6061	Remote Similarity	NPC25565
0.6049	Remote Similarity	NPC283783
0.6039	Remote Similarity	NPC287401
0.6031	Remote Similarity	NPC71140
0.6031	Remote Similarity	NPC474974
0.6015	Remote Similarity	NPC473501
0.6015	Remote Similarity	NPC475439
0.6014	Remote Similarity	NPC473498
0.6012	Remote Similarity	NPC475544
0.6012	Remote Similarity	NPC154478
0.6	Remote Similarity	NPC473002
0.6	Remote Similarity	NPC223207
0.5988	Remote Similarity	NPC84317
0.5988	Remote Similarity	NPC105717
0.5986	Remote Similarity	NPC302169
0.5975	Remote Similarity	NPC161069
0.5974	Remote Similarity	NPC473962
0.5965	Remote Similarity	NPC471771
0.5965	Remote Similarity	NPC304074
0.5965	Remote Similarity	NPC290755
0.5964	Remote Similarity	NPC473580
0.5964	Remote Similarity	NPC469903
0.5963	Remote Similarity	NPC314114
0.5951	Remote Similarity	NPC13470
0.5942	Remote Similarity	NPC167336
0.5938	Remote Similarity	NPC52748
0.5924	Remote Similarity	NPC43755
0.5924	Remote Similarity	NPC471265
0.5924	Remote Similarity	NPC471264
0.5924	Remote Similarity	NPC127741
0.5912	Remote Similarity	NPC202613
0.5909	Remote Similarity	NPC120251
0.5909	Remote Similarity	NPC7067
0.5906	Remote Similarity	NPC5719
0.5906	Remote Similarity	NPC217804
0.5906	Remote Similarity	NPC210377
0.5906	Remote Similarity	NPC22883
0.5901	Remote Similarity	NPC315266
0.5901	Remote Similarity	NPC478040
0.5901	Remote Similarity	NPC209509
0.5899	Remote Similarity	NPC327481
0.5899	Remote Similarity	NPC472999
0.5897	Remote Similarity	NPC248283
0.5893	Remote Similarity	NPC324850
0.5886	Remote Similarity	NPC98424
0.5886	Remote Similarity	NPC92784
0.5886	Remote Similarity	NPC178662
0.5886	Remote Similarity	NPC470884
0.5886	Remote Similarity	NPC476133
0.5886	Remote Similarity	NPC77992
0.5882	Remote Similarity	NPC73655
0.5879	Remote Similarity	NPC300443
0.5873	Remote Similarity	NPC474088
0.5872	Remote Similarity	NPC15068
0.5867	Remote Similarity	NPC175726
0.5867	Remote Similarity	NPC474082
0.5864	Remote Similarity	NPC262077
0.5862	Remote Similarity	NPC198254
0.5862	Remote Similarity	NPC274198
0.5858	Remote Similarity	NPC62104
0.5858	Remote Similarity	NPC1390
0.5849	Remote Similarity	NPC239762
0.5849	Remote Similarity	NPC163392
0.5845	Remote Similarity	NPC319579
0.5843	Remote Similarity	NPC122590
0.5838	Remote Similarity	NPC63040
0.5828	Remote Similarity	NPC16188
0.5828	Remote Similarity	NPC138775
0.5824	Remote Similarity	NPC473003
0.5824	Remote Similarity	NPC469902
0.5823	Remote Similarity	NPC68865
0.5817	Remote Similarity	NPC105114
0.5817	Remote Similarity	NPC89923
0.5817	Remote Similarity	NPC239990
0.5817	Remote Similarity	NPC71933
0.5817	Remote Similarity	NPC152850
0.5813	Remote Similarity	NPC269398
0.5813	Remote Similarity	NPC263493
0.5813	Remote Similarity	NPC476989
0.581	Remote Similarity	NPC153554
0.5802	Remote Similarity	NPC201244
0.5802	Remote Similarity	NPC477217
0.5802	Remote Similarity	NPC471680
0.5796	Remote Similarity	NPC474473
0.5795	Remote Similarity	NPC475532
0.5793	Remote Similarity	NPC471820
0.5793	Remote Similarity	NPC471821
0.5779	Remote Similarity	NPC313722
0.5779	Remote Similarity	NPC469666
0.5776	Remote Similarity	NPC77905
0.5771	Remote Similarity	NPC276506
0.5769	Remote Similarity	NPC207428
0.5765	Remote Similarity	NPC24617
0.5763	Remote Similarity	NPC165285
0.5759	Remote Similarity	NPC473360
0.5758	Remote Similarity	NPC254798
0.5758	Remote Similarity	NPC2501
0.5755	Remote Similarity	NPC194390
0.5755	Remote Similarity	NPC224610
0.5755	Remote Similarity	NPC88267
0.5755	Remote Similarity	NPC113326
0.5752	Remote Similarity	NPC136453
0.575	Remote Similarity	NPC307357
0.575	Remote Similarity	NPC476259
0.575	Remote Similarity	NPC268841
0.575	Remote Similarity	NPC46098
0.5746	Remote Similarity	NPC161972
0.5746	Remote Similarity	NPC303045
0.5745	Remote Similarity	NPC55529
0.5741	Remote Similarity	NPC476978
0.5732	Remote Similarity	NPC135121
0.5731	Remote Similarity	NPC114806
0.5731	Remote Similarity	NPC471527
0.573	Remote Similarity	NPC196243
0.5723	Remote Similarity	NPC7817
0.5723	Remote Similarity	NPC189116
0.5723	Remote Similarity	NPC475168
0.5714	Remote Similarity	NPC168113
0.5714	Remote Similarity	NPC129486
0.5714	Remote Similarity	NPC469427
0.5714	Remote Similarity	NPC469426
0.5714	Remote Similarity	NPC280022
0.5714	Remote Similarity	NPC231986
0.5706	Remote Similarity	NPC313867
0.5706	Remote Similarity	NPC5620
0.5706	Remote Similarity	NPC326349

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC32858 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	97
0.1-0.2	416
0.2-0.3	926
0.3-0.4	2328
0.4-0.5	3787
0.5-0.6	1450
0.6-0.7	141
0.7-0.8	14
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	2

Similarity Score	Similarity Level	Drug ID	Developmental Stage
1.0	High Similarity	NPD6076	Approved
1.0	High Similarity	NPD6075	Approved
0.7803	Intermediate Similarity	NPD1727	Approved
0.7426	Intermediate Similarity	NPD4478	Clinical (unspecified phase)
0.7236	Intermediate Similarity	NPD838	Approved
0.7222	Intermediate Similarity	NPD5272	Discontinued
0.7197	Intermediate Similarity	NPD480	Approved
0.7134	Intermediate Similarity	NPD5840	Discontinued
0.7114	Intermediate Similarity	NPD5341	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD6646	Discontinued
0.7073	Intermediate Similarity	NPD837	Approved
0.7055	Intermediate Similarity	NPD5780	Phase 2
0.7054	Intermediate Similarity	NPD1406	Approved
0.7045	Intermediate Similarity	NPD1746	Approved
0.7045	Intermediate Similarity	NPD1747	Approved
0.7013	Intermediate Similarity	NPD6611	Clinical (unspecified phase)
0.6987	Remote Similarity	NPD7744	Clinical (unspecified phase)
0.6939	Remote Similarity	NPD7622	Phase 2
0.6928	Remote Similarity	NPD8362	Clinical (unspecified phase)
0.6824	Remote Similarity	NPD7733	Phase 2
0.6824	Remote Similarity	NPD3908	Approved
0.6815	Remote Similarity	NPD7745	Clinical (unspecified phase)
0.6768	Remote Similarity	NPD6839	Clinical (unspecified phase)
0.6761	Remote Similarity	NPD6041	Phase 1
0.6741	Remote Similarity	NPD753	Approved
0.6733	Remote Similarity	NPD1045	Discontinued
0.6712	Remote Similarity	NPD6729	Phase 2
0.669	Remote Similarity	NPD5339	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD4469	Phase 3
0.6603	Remote Similarity	NPD8290	Clinical (unspecified phase)
0.6573	Remote Similarity	NPD1948	Approved
0.6533	Remote Similarity	NPD4791	Clinical (unspecified phase)
0.6525	Remote Similarity	NPD3675	Clinical (unspecified phase)
0.6503	Remote Similarity	NPD1947	Approved
0.6491	Remote Similarity	NPD5775	Approved
0.6491	Remote Similarity	NPD5774	Approved
0.6475	Remote Similarity	NPD4674	Clinical (unspecified phase)
0.6456	Remote Similarity	NPD3987	Approved
0.6456	Remote Similarity	NPD3988	Approved
0.6443	Remote Similarity	NPD6919	Clinical (unspecified phase)
0.6438	Remote Similarity	NPD2056	Discontinued
0.6405	Remote Similarity	NPD6901	Phase 3
0.6376	Remote Similarity	NPD7979	Clinical (unspecified phase)
0.637	Remote Similarity	NPD7130	Phase 3
0.6364	Remote Similarity	NPD7728	Clinical (unspecified phase)
0.6357	Remote Similarity	NPD2543	Discontinued
0.6357	Remote Similarity	NPD2635	Clinical (unspecified phase)
0.6354	Remote Similarity	NPD6834	Approved
0.6352	Remote Similarity	NPD5614	Approved
0.6352	Remote Similarity	NPD5613	Approved
0.6351	Remote Similarity	NPD3588	Discontinued
0.6345	Remote Similarity	NPD2131	Approved
0.634	Remote Similarity	NPD4782	Clinical (unspecified phase)
0.6331	Remote Similarity	NPD7968	Clinical (unspecified phase)
0.6325	Remote Similarity	NPD5093	Phase 2
0.6323	Remote Similarity	NPD1261	Approved
0.6319	Remote Similarity	NPD7342	Discontinued
0.6309	Remote Similarity	NPD7828	Discontinued
0.6306	Remote Similarity	NPD5432	Phase 2
0.6303	Remote Similarity	NPD4567	Approved
0.6303	Remote Similarity	NPD4566	Approved
0.6291	Remote Similarity	NPD3632	Clinical (unspecified phase)
0.6288	Remote Similarity	NPD787	Suspended
0.6284	Remote Similarity	NPD3894	Discontinued
0.6282	Remote Similarity	NPD8076	Discontinued
0.6282	Remote Similarity	NPD3126	Approved
0.6276	Remote Similarity	NPD4651	Clinical (unspecified phase)
0.627	Remote Similarity	NPD9186	Approved
0.627	Remote Similarity	NPD9184	Approved
0.6267	Remote Similarity	NPD4125	Approved
0.6259	Remote Similarity	NPD4677	Discontinued
0.6258	Remote Similarity	NPD5301	Clinical (unspecified phase)
0.625	Remote Similarity	NPD6378	Approved
0.6243	Remote Similarity	NPD7065	Clinical (unspecified phase)
0.6241	Remote Similarity	NPD5630	Phase 1
0.6235	Remote Similarity	NPD8001	Phase 3
0.6234	Remote Similarity	NPD5004	Approved
0.622	Remote Similarity	NPD4507	Discontinued
0.6207	Remote Similarity	NPD1104	Approved
0.6207	Remote Similarity	NPD5961	Clinical (unspecified phase)
0.6197	Remote Similarity	NPD1323	Discontinued
0.6194	Remote Similarity	NPD4803	Discontinued
0.6194	Remote Similarity	NPD4214	Discontinued
0.6178	Remote Similarity	NPD7720	Phase 2
0.6174	Remote Similarity	NPD2585	Clinical (unspecified phase)
0.6174	Remote Similarity	NPD3029	Clinical (unspecified phase)
0.6154	Remote Similarity	NPD4158	Clinical (unspecified phase)
0.6149	Remote Similarity	NPD6088	Approved
0.6149	Remote Similarity	NPD7088	Discontinued
0.6148	Remote Similarity	NPD5655	Clinical (unspecified phase)
0.6145	Remote Similarity	NPD4517	Clinical (unspecified phase)
0.6141	Remote Similarity	NPD6201	Phase 2
0.6139	Remote Similarity	NPD3513	Phase 3
0.6138	Remote Similarity	NPD4163	Clinical (unspecified phase)
0.6127	Remote Similarity	NPD3551	Approved
0.6127	Remote Similarity	NPD6613	Clinical (unspecified phase)
0.6119	Remote Similarity	NPD1795	Discontinued
0.6117	Remote Similarity	NPD4133	Approved
0.6111	Remote Similarity	NPD3806	Clinical (unspecified phase)
0.6107	Remote Similarity	NPD6792	Phase 3
0.6107	Remote Similarity	NPD5367	Discontinued
0.6103	Remote Similarity	NPD488	Approved
0.6103	Remote Similarity	NPD489	Approved
0.6084	Remote Similarity	NPD6855	Clinical (unspecified phase)
0.6081	Remote Similarity	NPD2584	Suspended
0.6081	Remote Similarity	NPD6408	Phase 1
0.608	Remote Similarity	NPD7563	Clinical (unspecified phase)
0.6076	Remote Similarity	NPD2088	Approved
0.6076	Remote Similarity	NPD2087	Approved
0.6074	Remote Similarity	NPD6588	Clinical (unspecified phase)
0.6074	Remote Similarity	NPD7303	Discontinued
0.6069	Remote Similarity	NPD6345	Approved
0.6069	Remote Similarity	NPD6343	Approved
0.6069	Remote Similarity	NPD483	Approved
0.6067	Remote Similarity	NPD6900	Discontinued
0.6067	Remote Similarity	NPD3606	Clinical (unspecified phase)
0.6065	Remote Similarity	NPD8643	Discontinued
0.6061	Remote Similarity	NPD6392	Approved
0.6061	Remote Similarity	NPD2603	Clinical (unspecified phase)
0.6058	Remote Similarity	NPD1765	Approved
0.6058	Remote Similarity	NPD1763	Approved
0.6058	Remote Similarity	NPD1767	Approved
0.6058	Remote Similarity	NPD1761	Approved
0.6058	Remote Similarity	NPD1766	Approved
0.6054	Remote Similarity	NPD5187	Clinical (unspecified phase)
0.6053	Remote Similarity	NPD5263	Approved
0.6051	Remote Similarity	NPD6655	Clinical (unspecified phase)
0.6049	Remote Similarity	NPD7892	Clinical (unspecified phase)
0.6045	Remote Similarity	NPD784	Discontinued
0.6045	Remote Similarity	NPD4737	Phase 2
0.6045	Remote Similarity	NPD1796	Phase 3
0.6042	Remote Similarity	NPD1344	Phase 2
0.6042	Remote Similarity	NPD4660	Discontinued
0.6042	Remote Similarity	NPD7679	Phase 2
0.6037	Remote Similarity	NPD4090	Discontinued
0.6037	Remote Similarity	NPD6575	Clinical (unspecified phase)
0.6029	Remote Similarity	NPD1396	Approved
0.6027	Remote Similarity	NPD759	Approved
0.6026	Remote Similarity	NPD3608	Clinical (unspecified phase)
0.6025	Remote Similarity	NPD7602	Clinical (unspecified phase)
0.6024	Remote Similarity	NPD5606	Discontinued
0.6024	Remote Similarity	NPD7822	Phase 1
0.6024	Remote Similarity	NPD7969	Clinical (unspecified phase)
0.6014	Remote Similarity	NPD4706	Clinical (unspecified phase)
0.6014	Remote Similarity	NPD7062	Discontinued
0.6013	Remote Similarity	NPD5782	Phase 3
0.6012	Remote Similarity	NPD5002	Discontinued
0.6012	Remote Similarity	NPD4939	Clinical (unspecified phase)
0.6	Remote Similarity	NPD6360	Discontinued
0.6	Remote Similarity	NPD6391	Approved
0.6	Remote Similarity	NPD6623	Phase 3
0.6	Remote Similarity	NPD6240	Phase 3
0.6	Remote Similarity	NPD7579	Clinical (unspecified phase)
0.6	Remote Similarity	NPD4063	Clinical (unspecified phase)
0.6	Remote Similarity	NPD8022	Clinical (unspecified phase)
0.6	Remote Similarity	NPD3581	Discontinued
0.6	Remote Similarity	NPD7836	Clinical (unspecified phase)
0.5988	Remote Similarity	NPD5839	Clinical (unspecified phase)
0.5988	Remote Similarity	NPD6396	Clinical (unspecified phase)
0.5988	Remote Similarity	NPD6395	Phase 2
0.5987	Remote Similarity	NPD4705	Clinical (unspecified phase)
0.5987	Remote Similarity	NPD3626	Phase 3
0.5987	Remote Similarity	NPD1781	Discontinued
0.5986	Remote Similarity	NPD2810	Discontinued
0.5985	Remote Similarity	NPD1028	Approved
0.5985	Remote Similarity	NPD1026	Approved
0.5975	Remote Similarity	NPD1938	Clinical (unspecified phase)
0.5975	Remote Similarity	NPD4461	Discontinued
0.5975	Remote Similarity	NPD2022	Approved
0.5974	Remote Similarity	NPD7908	Discontinued
0.5974	Remote Similarity	NPD5581	Approved
0.5973	Remote Similarity	NPD3072	Approved
0.5973	Remote Similarity	NPD3071	Approved
0.5973	Remote Similarity	NPD3073	Approved
0.597	Remote Similarity	NPD1724	Approved
0.597	Remote Similarity	NPD466	Approved
0.5965	Remote Similarity	NPD3850	Clinical (unspecified phase)
0.5962	Remote Similarity	NPD4757	Clinical (unspecified phase)
0.596	Remote Similarity	NPD5653	Discontinued
0.5957	Remote Similarity	NPD2583	Phase 2
0.5956	Remote Similarity	NPD813	Approved
0.5954	Remote Similarity	NPD4650	Approved
0.5952	Remote Similarity	NPD6885	Approved
0.5952	Remote Similarity	NPD6886	Approved
0.5951	Remote Similarity	NPD6631	Clinical (unspecified phase)
0.5951	Remote Similarity	NPD2014	Approved
0.5951	Remote Similarity	NPD5570	Discontinued
0.5951	Remote Similarity	NPD2016	Approved
0.5951	Remote Similarity	NPD2013	Approved
0.5944	Remote Similarity	NPD3598	Phase 3
0.5944	Remote Similarity	NPD5180	Approved
0.5944	Remote Similarity	NPD5179	Approved
0.5944	Remote Similarity	NPD5181	Approved
0.5943	Remote Similarity	NPD2461	Phase 1
0.5942	Remote Similarity	NPD959	Discontinued
0.5942	Remote Similarity	NPD5717	Approved
0.594	Remote Similarity	NPD157	Clinical (unspecified phase)
0.594	Remote Similarity	NPD2507	Clinical (unspecified phase)
0.5935	Remote Similarity	NPD4680	Discontinued
0.5931	Remote Similarity	NPD6660	Discontinued

Structure

CID32858 OpenBabel06191715362D 34 36 0 0 1 0 0 0 0 0999 V2000 4.4591 4.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3840 2.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2681 3.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5055 0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 4.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2976 1.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1636 2.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9067 1.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8849 1.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 3 17 1 0 0 0 0 4 21 1 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 7 11 1 0 0 0 0 7 18 2 0 0 0 0 8 12 2 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 10 19 1 0 0 0 0 11 20 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 25 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 16 2 1 1 0 0 0 17 21 2 0 0 0 0 19 26 1 6 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 22 28 1 0 0 0 0 22 29 2 0 0 0 0 23 26 2 3 0 0 0 23 27 1 0 0 0 0 23 30 1 0 0 0 0 24 25 2 3 0 0 0 24 28 1 0 0 0 0 24 31 1 0 0 0 0 27 34 1 0 0 0 0 32 34 2 0 0 0 0 33 34 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL1481
ZINC

Physicochemical Properties

Molecular Weight:	490.22
ALogP:	0.2885
MLogP:	3
XLogP:	4.487
# Rotatable Bonds:	14
Polar Surface Area:	140.04
# H-Bond Aceptor:	9
# H-Bond Donor:	3
# Rings:	3
# Heavy Atoms:	34

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