NPASS Natural Product

Natural Product: NPC477217

Natural Product ID:	NPC477217
Common Name:	n.a.
IUPAC Name:	(3R,6S,12R,15S,18R,21E,24S,25S,26S)-12-benzyl-6-[(2S)-butan-2-yl]-26-[(E)-but-2-en-2-yl]-24-hydroxy-3,10,13,15,21,25-hexamethyl-18-(2-methylpropyl)-1,19-dioxa-4,7,10,13,16-pentazacyclohexacos-21-ene-2,5,8,11,14,17,20-heptone
Synonyms:	Kulokekahilede-2
Molecular Formula:	C44H67N5O10
Standard InCHIKey:	JUJXAYASADIXIM-UZWZGVIJSA-N
Standard InCHI:	InChI=1S/C44H67N5O10/c1-13-26(5)37-40(53)46-31(10)44(57)59-38(27(6)14-2)29(8)34(50)21-20-28(7)43(56)58-35(22-25(3)4)39(52)45-30(9)41(54)49(12)33(23-32-18-16-15-17-19-32)42(55)48(11)24-36(51)47-37/h14-20,25-26,29-31,33-35,37-38,50H,13,21-24H2,1-12H3,(H,45,52)(H,46,53)(H,47,51)/b27-14+,28-20+/t26-,29-,30-,31+,33+,34-,35+,37-,38+/m0/s1
Canonical SMILES:	CC[C@@H]([C@@H]1N=C(O)CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C)N=C(O)[C@@H](CC(C)C)OC(=O)/C(=C/C[C@@H]([C@@H]([C@H](OC(=O)[C@H](N=C1O)C)/C(=C/C)/C)C)O)/C)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
NPO33617	Hawaiian marine mollusk	Species	NA	NA				PMID[23127885]

Biological Activity

Activity Type	# Activity
IC50	3

Activity Type	# Activity
Cell Line	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	0.22	nM	23127885
NPT111	Cell Line	K562	Homo sapiens	IC50	=	0.0031	nM	23127885
NPT81	Cell Line	A549	Homo sapiens	IC50	=	0.0021	nM	23127885

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 NPC477217 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	93
0.1-0.2	517
0.2-0.3	1923
0.3-0.4	6261
0.4-0.5	16392
0.5-0.6	4920
0.6-0.7	545
0.7-0.8	192
0.8-0.85	38
0.85-0.9	6
0.9-0.95	0
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC201244
0.9852	High Similarity	NPC135121
0.8986	High Similarity	NPC46098
0.8986	High Similarity	NPC307357
0.8986	High Similarity	NPC268841
0.8705	High Similarity	NPC127741
0.8705	High Similarity	NPC68865
0.8531	High Similarity	NPC52748
0.8462	Intermediate Similarity	NPC197682
0.8425	Intermediate Similarity	NPC471821
0.8425	Intermediate Similarity	NPC471820
0.8414	Intermediate Similarity	NPC262077
0.8392	Intermediate Similarity	NPC168113
0.8367	Intermediate Similarity	NPC2501
0.8333	Intermediate Similarity	NPC176226
0.8322	Intermediate Similarity	NPC163392
0.8322	Intermediate Similarity	NPC239762
0.8286	Intermediate Similarity	NPC246079
0.8276	Intermediate Similarity	NPC476978
0.8252	Intermediate Similarity	NPC92784
0.8252	Intermediate Similarity	NPC178662
0.8252	Intermediate Similarity	NPC98424
0.8252	Intermediate Similarity	NPC470884
0.8252	Intermediate Similarity	NPC476133
0.8247	Intermediate Similarity	NPC471053
0.8247	Intermediate Similarity	NPC471051
0.8247	Intermediate Similarity	NPC471052
0.8231	Intermediate Similarity	NPC145113
0.8224	Intermediate Similarity	NPC197743
0.8224	Intermediate Similarity	NPC297145
0.8219	Intermediate Similarity	NPC5620
0.8217	Intermediate Similarity	NPC196091
0.8207	Intermediate Similarity	NPC139326
0.8207	Intermediate Similarity	NPC161069
0.82	Intermediate Similarity	NPC122590
0.8194	Intermediate Similarity	NPC476259
0.8138	Intermediate Similarity	NPC269398
0.8138	Intermediate Similarity	NPC263493
0.8133	Intermediate Similarity	NPC162104
0.8108	Intermediate Similarity	NPC329761
0.8108	Intermediate Similarity	NPC225648
0.8071	Intermediate Similarity	NPC213969
0.8071	Intermediate Similarity	NPC165726
0.8	Intermediate Similarity	NPC129666
0.8	Intermediate Similarity	NPC237420
0.8	Intermediate Similarity	NPC319766
0.7987	Intermediate Similarity	NPC138775
0.7985	Intermediate Similarity	NPC239357
0.7973	Intermediate Similarity	NPC209509
0.7961	Intermediate Similarity	NPC473341
0.795	Intermediate Similarity	NPC26108
0.7931	Intermediate Similarity	NPC471264
0.7931	Intermediate Similarity	NPC471265
0.7926	Intermediate Similarity	NPC169328
0.7919	Intermediate Similarity	NPC314358
0.7899	Intermediate Similarity	NPC160493
0.7895	Intermediate Similarity	NPC103391
0.7895	Intermediate Similarity	NPC472536
0.7891	Intermediate Similarity	NPC469426
0.7891	Intermediate Similarity	NPC469427
0.7885	Intermediate Similarity	NPC471527
0.7868	Intermediate Similarity	NPC310467
0.7852	Intermediate Similarity	NPC316008
0.7852	Intermediate Similarity	NPC313867
0.7829	Intermediate Similarity	NPC475168
0.7829	Intermediate Similarity	NPC7817
0.7821	Intermediate Similarity	NPC62104
0.7821	Intermediate Similarity	NPC1390
0.782	Intermediate Similarity	NPC273814
0.7815	Intermediate Similarity	NPC240848
0.7815	Intermediate Similarity	NPC105717
0.7812	Intermediate Similarity	NPC186617
0.7786	Intermediate Similarity	NPC476241
0.7786	Intermediate Similarity	NPC476260
0.7785	Intermediate Similarity	NPC314388
0.7785	Intermediate Similarity	NPC315283
0.7764	Intermediate Similarity	NPC473693
0.7764	Intermediate Similarity	NPC471568
0.7763	Intermediate Similarity	NPC283783
0.7754	Intermediate Similarity	NPC200964
0.7754	Intermediate Similarity	NPC190663
0.7736	Intermediate Similarity	NPC472923
0.7733	Intermediate Similarity	NPC315266
0.773	Intermediate Similarity	NPC473354
0.773	Intermediate Similarity	NPC476125
0.773	Intermediate Similarity	NPC476179
0.773	Intermediate Similarity	NPC477462
0.7714	Intermediate Similarity	NPC6975
0.7714	Intermediate Similarity	NPC46427
0.7708	Intermediate Similarity	NPC130309
0.7687	Intermediate Similarity	NPC43755
0.7677	Intermediate Similarity	NPC470902
0.7669	Intermediate Similarity	NPC273755
0.7669	Intermediate Similarity	NPC248670
0.7643	Intermediate Similarity	NPC252878
0.7626	Intermediate Similarity	NPC476183
0.7625	Intermediate Similarity	NPC210377
0.7625	Intermediate Similarity	NPC22883
0.7625	Intermediate Similarity	NPC5719
0.7625	Intermediate Similarity	NPC63931
0.7625	Intermediate Similarity	NPC217804
0.7619	Intermediate Similarity	NPC471050
0.7619	Intermediate Similarity	NPC471049
0.7619	Intermediate Similarity	NPC471048
0.7613	Intermediate Similarity	NPC286551
0.7609	Intermediate Similarity	NPC470546
0.7606	Intermediate Similarity	NPC101719
0.759	Intermediate Similarity	NPC475421
0.7576	Intermediate Similarity	NPC50016
0.7571	Intermediate Similarity	NPC476184
0.7571	Intermediate Similarity	NPC202521
0.7571	Intermediate Similarity	NPC476281
0.7566	Intermediate Similarity	NPC81026
0.7564	Intermediate Similarity	NPC39431
0.7561	Intermediate Similarity	NPC137627
0.7561	Intermediate Similarity	NPC306804
0.7536	Intermediate Similarity	NPC470545
0.7535	Intermediate Similarity	NPC222466
0.7535	Intermediate Similarity	NPC22746
0.7531	Intermediate Similarity	NPC63040
0.7531	Intermediate Similarity	NPC107938
0.7531	Intermediate Similarity	NPC294516
0.7531	Intermediate Similarity	NPC473502
0.7517	Intermediate Similarity	NPC132636
0.7515	Intermediate Similarity	NPC294951
0.7515	Intermediate Similarity	NPC159767
0.7515	Intermediate Similarity	NPC471165
0.7515	Intermediate Similarity	NPC155506
0.7515	Intermediate Similarity	NPC279871
0.75	Intermediate Similarity	NPC266741
0.75	Intermediate Similarity	NPC478015
0.75	Intermediate Similarity	NPC105114
0.75	Intermediate Similarity	NPC478016
0.75	Intermediate Similarity	NPC239990
0.75	Intermediate Similarity	NPC476990
0.75	Intermediate Similarity	NPC45777
0.75	Intermediate Similarity	NPC71933
0.75	Intermediate Similarity	NPC477061
0.75	Intermediate Similarity	NPC152850
0.75	Intermediate Similarity	NPC478014
0.75	Intermediate Similarity	NPC89923
0.75	Intermediate Similarity	NPC476321
0.7485	Intermediate Similarity	NPC45037
0.7483	Intermediate Similarity	NPC287401
0.7483	Intermediate Similarity	NPC47667
0.7471	Intermediate Similarity	NPC315542
0.7469	Intermediate Similarity	NPC15068
0.7465	Intermediate Similarity	NPC476278
0.7464	Intermediate Similarity	NPC470544
0.7456	Intermediate Similarity	NPC470903
0.7456	Intermediate Similarity	NPC471526
0.7456	Intermediate Similarity	NPC470112
0.7456	Intermediate Similarity	NPC167763
0.745	Intermediate Similarity	NPC6570
0.7448	Intermediate Similarity	NPC473322
0.7439	Intermediate Similarity	NPC475123
0.7439	Intermediate Similarity	NPC40234
0.7439	Intermediate Similarity	NPC46009
0.7439	Intermediate Similarity	NPC475204
0.7438	Intermediate Similarity	NPC469901
0.7432	Intermediate Similarity	NPC248283
0.7431	Intermediate Similarity	NPC136453
0.741	Intermediate Similarity	NPC476227
0.7394	Intermediate Similarity	NPC89831
0.7394	Intermediate Similarity	NPC230611
0.7381	Intermediate Similarity	NPC269750
0.7381	Intermediate Similarity	NPC194671
0.7376	Intermediate Similarity	NPC80150
0.7368	Intermediate Similarity	NPC299806
0.7356	Intermediate Similarity	NPC473407
0.7356	Intermediate Similarity	NPC473378
0.7347	Intermediate Similarity	NPC157311
0.7347	Intermediate Similarity	NPC255447
0.7343	Intermediate Similarity	NPC474082
0.7343	Intermediate Similarity	NPC175726
0.7329	Intermediate Similarity	NPC469666
0.7317	Intermediate Similarity	NPC209463
0.7305	Intermediate Similarity	NPC473402
0.7305	Intermediate Similarity	NPC318930
0.7305	Intermediate Similarity	NPC317362
0.7299	Intermediate Similarity	NPC163961
0.7299	Intermediate Similarity	NPC473305
0.7297	Intermediate Similarity	NPC44805
0.7297	Intermediate Similarity	NPC8761
0.7279	Intermediate Similarity	NPC200589
0.7278	Intermediate Similarity	NPC262166
0.7246	Intermediate Similarity	NPC276949
0.7246	Intermediate Similarity	NPC35850
0.7234	Intermediate Similarity	NPC314992
0.7222	Intermediate Similarity	NPC35996
0.7211	Intermediate Similarity	NPC111428
0.7207	Intermediate Similarity	NPC323662
0.7207	Intermediate Similarity	NPC477552
0.7207	Intermediate Similarity	NPC477550
0.7203	Intermediate Similarity	NPC71684
0.7194	Intermediate Similarity	NPC33742
0.7188	Intermediate Similarity	NPC473580
0.7175	Intermediate Similarity	NPC302715
0.7161	Intermediate Similarity	NPC322878
0.716	Intermediate Similarity	NPC287757

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC477217 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	283
0.2-0.3	646
0.3-0.4	1742
0.4-0.5	3536
0.5-0.6	2338
0.6-0.7	474
0.7-0.8	45
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
0.7842	Intermediate Similarity	NPD2584	Suspended
0.7808	Intermediate Similarity	NPD8172	Phase 2
0.7808	Intermediate Similarity	NPD8173	Phase 2
0.7692	Intermediate Similarity	NPD3626	Phase 3
0.7632	Intermediate Similarity	NPD8323	Discontinued
0.7586	Intermediate Similarity	NPD6919	Clinical (unspecified phase)
0.7468	Intermediate Similarity	NPD8417	Discontinued
0.7466	Intermediate Similarity	NPD4738	Phase 2
0.7434	Intermediate Similarity	NPD6681	Discovery
0.7432	Intermediate Similarity	NPD8416	Discontinued
0.74	Intermediate Similarity	NPD6852	Discontinued
0.7386	Intermediate Similarity	NPD6860	Clinical (unspecified phase)
0.7383	Intermediate Similarity	NPD7113	Clinical (unspecified phase)
0.7308	Intermediate Similarity	NPD6088	Approved
0.726	Intermediate Similarity	NPD5339	Clinical (unspecified phase)
0.726	Intermediate Similarity	NPD3608	Clinical (unspecified phase)
0.7234	Intermediate Similarity	NPD2218	Phase 2
0.7234	Intermediate Similarity	NPD2217	Approved
0.7215	Intermediate Similarity	NPD7613	Discontinued
0.7211	Intermediate Similarity	NPD4177	Approved
0.7211	Intermediate Similarity	NPD4175	Approved
0.7197	Intermediate Similarity	NPD6631	Clinical (unspecified phase)
0.7171	Intermediate Similarity	NPD6901	Phase 3
0.7143	Intermediate Similarity	NPD7267	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD3604	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD7608	Discontinued
0.7105	Intermediate Similarity	NPD6073	Approved
0.7105	Intermediate Similarity	NPD5725	Approved
0.7099	Intermediate Similarity	NPD7118	Clinical (unspecified phase)
0.7099	Intermediate Similarity	NPD7749	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD6119	Clinical (unspecified phase)
0.7092	Intermediate Similarity	NPD5291	Approved
0.7092	Intermediate Similarity	NPD5292	Approved
0.7086	Intermediate Similarity	NPD6623	Phase 3
0.7075	Intermediate Similarity	NPD2585	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD7131	Phase 3
0.7047	Intermediate Similarity	NPD4125	Approved
0.7039	Intermediate Similarity	NPD8643	Discontinued
0.7037	Intermediate Similarity	NPD2891	Approved
0.7032	Intermediate Similarity	NPD7720	Phase 2
0.7032	Intermediate Similarity	NPD8076	Discontinued
0.702	Intermediate Similarity	NPD5747	Discontinued
0.7012	Intermediate Similarity	NPD4557	Approved
0.7006	Intermediate Similarity	NPD1968	Approved
0.7006	Intermediate Similarity	NPD1967	Approved
0.6993	Remote Similarity	NPD4782	Clinical (unspecified phase)
0.6986	Remote Similarity	NPD5108	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD4153	Approved
0.6964	Remote Similarity	NPD7485	Phase 3
0.6964	Remote Similarity	NPD7484	Phase 3
0.6948	Remote Similarity	NPD6294	Approved
0.6948	Remote Similarity	NPD6295	Approved
0.6939	Remote Similarity	NPD4677	Discontinued
0.6937	Remote Similarity	NPD8389	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD7979	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD4152	Approved
0.6908	Remote Similarity	NPD7634	Clinical (unspecified phase)
0.6903	Remote Similarity	NPD5301	Clinical (unspecified phase)
0.6892	Remote Similarity	NPD3125	Approved
0.6887	Remote Similarity	NPD6039	Approved
0.6871	Remote Similarity	NPD3072	Approved
0.6871	Remote Similarity	NPD3073	Approved
0.6871	Remote Similarity	NPD3071	Approved
0.6863	Remote Similarity	NPD4791	Clinical (unspecified phase)
0.6863	Remote Similarity	NPD5296	Approved
0.6855	Remote Similarity	NPD7602	Clinical (unspecified phase)
0.6846	Remote Similarity	NPD2626	Approved
0.6846	Remote Similarity	NPD2160	Approved
0.6846	Remote Similarity	NPD2159	Approved
0.6846	Remote Similarity	NPD2625	Approved
0.6846	Remote Similarity	NPD2627	Approved
0.6846	Remote Similarity	NPD2628	Approved
0.6832	Remote Similarity	NPD4185	Clinical (unspecified phase)
0.6828	Remote Similarity	NPD4504	Clinical (unspecified phase)
0.6821	Remote Similarity	NPD5202	Clinical (unspecified phase)
0.681	Remote Similarity	NPD8315	Phase 1
0.6803	Remote Similarity	NPD4806	Approved
0.6803	Remote Similarity	NPD4762	Approved
0.6803	Remote Similarity	NPD4761	Approved
0.6803	Remote Similarity	NPD4706	Clinical (unspecified phase)
0.6803	Remote Similarity	NPD4807	Approved
0.6798	Remote Similarity	NPD8103	Clinical (unspecified phase)
0.6797	Remote Similarity	NPD3561	Clinical (unspecified phase)
0.6783	Remote Similarity	NPD1348	Approved
0.6781	Remote Similarity	NPD5723	Approved
0.6779	Remote Similarity	NPD2634	Clinical (unspecified phase)
0.6779	Remote Similarity	NPD2199	Approved
0.6779	Remote Similarity	NPD2198	Approved
0.6774	Remote Similarity	NPD3528	Clinical (unspecified phase)
0.6772	Remote Similarity	NPD2437	Approved
0.6772	Remote Similarity	NPD2436	Approved
0.6766	Remote Similarity	NPD7080	Clinical (unspecified phase)
0.6755	Remote Similarity	NPD3663	Approved
0.6755	Remote Similarity	NPD3662	Phase 3
0.6755	Remote Similarity	NPD3661	Approved
0.6755	Remote Similarity	NPD3664	Approved
0.6753	Remote Similarity	NPD8265	Approved
0.6752	Remote Similarity	NPD4173	Approved
0.6752	Remote Similarity	NPD4172	Approved
0.675	Remote Similarity	NPD7274	Clinical (unspecified phase)
0.6744	Remote Similarity	NPD7964	Clinical (unspecified phase)
0.6744	Remote Similarity	NPD7965	Phase 2
0.6739	Remote Similarity	NPD7130	Phase 3
0.6736	Remote Similarity	NPD3123	Discovery
0.6732	Remote Similarity	NPD1330	Phase 2
0.6732	Remote Similarity	NPD4619	Approved
0.6732	Remote Similarity	NPD1329	Clinical (unspecified phase)
0.6732	Remote Similarity	NPD4621	Approved
0.6711	Remote Similarity	NPD4676	Approved
0.6711	Remote Similarity	NPD4617	Approved
0.6711	Remote Similarity	NPD5201	Approved
0.6711	Remote Similarity	NPD2613	Approved
0.6711	Remote Similarity	NPD5263	Approved
0.6711	Remote Similarity	NPD5203	Approved
0.6711	Remote Similarity	NPD4620	Approved
0.6709	Remote Similarity	NPD2022	Approved
0.6708	Remote Similarity	NPD3519	Discontinued
0.6707	Remote Similarity	NPD4648	Approved
0.6707	Remote Similarity	NPD4647	Approved
0.6707	Remote Similarity	NPD4646	Approved
0.6707	Remote Similarity	NPD7599	Phase 2
0.6689	Remote Similarity	NPD2612	Approved
0.6689	Remote Similarity	NPD4218	Approved
0.6689	Remote Similarity	NPD2611	Approved
0.6689	Remote Similarity	NPD3131	Approved
0.6689	Remote Similarity	NPD2610	Approved
0.6689	Remote Similarity	NPD3132	Approved
0.6689	Remote Similarity	NPD4217	Approved
0.6689	Remote Similarity	NPD2608	Approved
0.6689	Remote Similarity	NPD4215	Approved
0.6689	Remote Similarity	NPD2609	Approved
0.6689	Remote Similarity	NPD4216	Approved
0.6689	Remote Similarity	NPD5338	Clinical (unspecified phase)
0.6688	Remote Similarity	NPD3088	Approved
0.6688	Remote Similarity	NPD2566	Approved
0.6688	Remote Similarity	NPD4746	Phase 3
0.6688	Remote Similarity	NPD3089	Approved
0.6688	Remote Similarity	NPD2574	Discontinued
0.6688	Remote Similarity	NPD5745	Approved
0.6688	Remote Similarity	NPD3615	Approved
0.6688	Remote Similarity	NPD4158	Clinical (unspecified phase)
0.6688	Remote Similarity	NPD3480	Approved
0.6688	Remote Similarity	NPD2570	Approved
0.6688	Remote Similarity	NPD3090	Approved
0.6688	Remote Similarity	NPD3087	Approved
0.6688	Remote Similarity	NPD2571	Approved
0.6688	Remote Similarity	NPD3616	Approved
0.6688	Remote Similarity	NPD2572	Clinical (unspecified phase)
0.6688	Remote Similarity	NPD3614	Approved
0.6688	Remote Similarity	NPD2573	Approved
0.6688	Remote Similarity	NPD4745	Approved
0.6687	Remote Similarity	NPD5298	Clinical (unspecified phase)
0.6687	Remote Similarity	NPD2575	Approved
0.6667	Remote Similarity	NPD3643	Approved
0.6667	Remote Similarity	NPD2044	Approved
0.6667	Remote Similarity	NPD21	Approved
0.6667	Remote Similarity	NPD2048	Approved
0.6667	Remote Similarity	NPD2014	Approved
0.6667	Remote Similarity	NPD2047	Approved
0.6667	Remote Similarity	NPD5341	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD2013	Approved
0.6667	Remote Similarity	NPD4794	Discontinued
0.6667	Remote Similarity	NPD7600	Phase 2
0.6667	Remote Similarity	NPD3136	Phase 2
0.6667	Remote Similarity	NPD5852	Approved
0.6667	Remote Similarity	NPD5851	Approved
0.6667	Remote Similarity	NPD2049	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD2043	Approved
0.6667	Remote Similarity	NPD2046	Approved
0.6667	Remote Similarity	NPD6792	Phase 3
0.6667	Remote Similarity	NPD3644	Approved
0.6667	Remote Similarity	NPD2016	Approved
0.6667	Remote Similarity	NPD2051	Approved
0.6667	Remote Similarity	NPD2050	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD3642	Approved
0.6667	Remote Similarity	NPD5367	Discontinued
0.6667	Remote Similarity	NPD2045	Approved
0.6667	Remote Similarity	NPD6817	Clinical (unspecified phase)
0.6647	Remote Similarity	NPD7011	Discontinued
0.6647	Remote Similarity	NPD8303	Discontinued
0.6646	Remote Similarity	NPD6552	Clinical (unspecified phase)
0.6646	Remote Similarity	NPD6897	Clinical (unspecified phase)
0.6645	Remote Similarity	NPD5121	Approved
0.6645	Remote Similarity	NPD3040	Approved
0.6645	Remote Similarity	NPD5120	Approved
0.6645	Remote Similarity	NPD5323	Approved
0.6645	Remote Similarity	NPD5204	Approved
0.6645	Remote Similarity	NPD5119	Approved
0.6625	Remote Similarity	NPD5264	Approved
0.6625	Remote Similarity	NPD5265	Approved
0.6624	Remote Similarity	NPD4214	Discontinued
0.6623	Remote Similarity	NPD5581	Approved
0.6623	Remote Similarity	NPD3632	Clinical (unspecified phase)
0.6622	Remote Similarity	NPD4135	Approved
0.6622	Remote Similarity	NPD4136	Approved
0.6622	Remote Similarity	NPD4106	Approved
0.6613	Remote Similarity	NPD7811	Phase 3
0.6613	Remote Similarity	NPD7810	Phase 3
0.6611	Remote Similarity	NPD7683	Discontinued
0.6607	Remote Similarity	NPD7972	Discontinued

Structure

External Identifiers

PubChem CID	24809392
ChEMBL	CHEMBL2207325
ZINC

Physicochemical Properties

Molecular Weight:	825.49
ALogP:	0.5067
MLogP:	4.65
XLogP:	6.664
# Rotatable Bonds:	23
Polar Surface Area:	211.22
# H-Bond Aceptor:	15
# H-Bond Donor:	4
# Rings:	2
# Heavy Atoms:	59

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