NPASS Natural Product

Natural Product: NPC476890

Natural Product ID:	NPC476890
Common Name:	(4R,4aS,6aR,6aS,6bR,8aR,9S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-(3-methylbut-2-enoyloxy)-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
IUPAC Name:	(4R,4aS,6aR,6aS,6bR,8aR,9S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-(3-methylbut-2-enoyloxy)-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
Synonyms:
Molecular Formula:	C35H52O6
Standard InCHIKey:	PMRGZMORCRUODW-SCSBYZNTSA-N
Standard InCHI:	InChI=1S/C35H52O6/c1-21(2)17-28(38)41-27-19-30(3,4)18-23-22-9-10-25-31(5)13-12-26(37)32(6,20-36)24(31)11-14-34(25,8)33(22,7)15-16-35(23,27)29(39)40/h9,17,23-25,27,36H,10-16,18-20H2,1-8H3,(H,39,40)/t23-,24-,25-,27-,31+,32-,33-,34-,35+/m1/s1
Canonical SMILES:	OC[C@@]1(C)C(=O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@@H]2CC(C[C@H]1OC(=O)C=C(C)C)(C)C)C(=O)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
NPO33642	Combretum sundaicum	Species	Combretaceae	Eukaryota	flowers	Bac Son, Lang Son Province, Vietnam	1997-JUL	PMID[19572612]

Biological Activity

Activity Type	# Activity
IC50	4
Ki	1

Activity Type	# Activity
Cell Line	4
Individual Protein	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2796	Individual Protein	Apoptosis regulator Bcl-X	Homo sapiens	Ki	=	5300	nM	19572612
NPT393	Cell Line	HCT-116	Homo sapiens	IC50	=	11400	nM	19572612
NPT137	Cell Line	L1210	Mus musculus	IC50	=	12300	nM	19572612
NPT91	Cell Line	KB	Homo sapiens	IC50	=	35500	nM	19572612
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	42500	nM	19572612

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 NPC476890 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	157
0.1-0.2	751
0.2-0.3	2589
0.3-0.4	4828
0.4-0.5	9882
0.5-0.6	5129
0.6-0.7	4263
0.7-0.8	2882
0.8-0.85	303
0.85-0.9	89
0.9-0.95	12
0.95-1	4

Similarity Score	Similarity Level	Natural Product ID
0.9895	High Similarity	NPC476889
0.9894	High Similarity	NPC476888
0.9894	High Similarity	NPC93744
0.9789	High Similarity	NPC40918
0.9368	High Similarity	NPC26413
0.9263	High Similarity	NPC98874
0.9158	High Similarity	NPC148523
0.9149	High Similarity	NPC169343
0.9053	High Similarity	NPC74751
0.9053	High Similarity	NPC91010
0.9053	High Similarity	NPC23621
0.9053	High Similarity	NPC78580
0.9053	High Similarity	NPC184006
0.9043	High Similarity	NPC471588
0.9043	High Similarity	NPC6255
0.901	High Similarity	NPC475570
0.8958	High Similarity	NPC23241
0.8958	High Similarity	NPC195715
0.8947	High Similarity	NPC86368
0.8947	High Similarity	NPC272075
0.8947	High Similarity	NPC295643
0.8947	High Similarity	NPC214756
0.8936	High Similarity	NPC198818
0.8922	High Similarity	NPC473483
0.8878	High Similarity	NPC471966
0.8842	High Similarity	NPC233455
0.8842	High Similarity	NPC966
0.8842	High Similarity	NPC4036
0.8842	High Similarity	NPC65120
0.8842	High Similarity	NPC228784
0.8842	High Similarity	NPC282616
0.8842	High Similarity	NPC158030
0.8842	High Similarity	NPC155120
0.8842	High Similarity	NPC288833
0.8842	High Similarity	NPC145067
0.8842	High Similarity	NPC324341
0.8788	High Similarity	NPC117685
0.8776	High Similarity	NPC89225
0.8774	High Similarity	NPC110861
0.8737	High Similarity	NPC172361
0.8737	High Similarity	NPC86372
0.8737	High Similarity	NPC113989
0.8737	High Similarity	NPC120840
0.8713	High Similarity	NPC95899
0.87	High Similarity	NPC235142
0.87	High Similarity	NPC473160
0.8692	High Similarity	NPC268954
0.8687	High Similarity	NPC164349
0.8673	High Similarity	NPC472806
0.8673	High Similarity	NPC167193
0.866	High Similarity	NPC474529
0.866	High Similarity	NPC222047
0.8646	High Similarity	NPC285184
0.8646	High Similarity	NPC60755
0.8646	High Similarity	NPC77099
0.8646	High Similarity	NPC470590
0.8632	High Similarity	NPC270768
0.8632	High Similarity	NPC293048
0.8632	High Similarity	NPC234346
0.8632	High Similarity	NPC59263
0.8632	High Similarity	NPC61543
0.8632	High Similarity	NPC474700
0.8632	High Similarity	NPC130520
0.8632	High Similarity	NPC281524
0.8632	High Similarity	NPC121798
0.8632	High Similarity	NPC263393
0.8632	High Similarity	NPC225585
0.8632	High Similarity	NPC127689
0.8632	High Similarity	NPC30522
0.8617	High Similarity	NPC158141
0.8617	High Similarity	NPC173089
0.8614	High Similarity	NPC258547
0.8614	High Similarity	NPC273668
0.8614	High Similarity	NPC283343
0.86	High Similarity	NPC476299
0.86	High Similarity	NPC474190
0.86	High Similarity	NPC474012
0.8586	High Similarity	NPC476878
0.8586	High Similarity	NPC476879
0.8571	High Similarity	NPC139570
0.8571	High Similarity	NPC474727
0.8557	High Similarity	NPC118490
0.8557	High Similarity	NPC298554
0.8542	High Similarity	NPC291028
0.8542	High Similarity	NPC470589
0.8542	High Similarity	NPC130278
0.8542	High Similarity	NPC126369
0.8542	High Similarity	NPC193750
0.8542	High Similarity	NPC8062
0.8542	High Similarity	NPC474728
0.8542	High Similarity	NPC111110
0.8529	High Similarity	NPC478057
0.8526	High Similarity	NPC182797
0.8526	High Similarity	NPC474511
0.8526	High Similarity	NPC246708
0.8526	High Similarity	NPC52169
0.8526	High Similarity	NPC40552
0.8526	High Similarity	NPC1753
0.8519	High Similarity	NPC44170
0.8515	High Similarity	NPC471075
0.85	High Similarity	NPC234617
0.85	High Similarity	NPC316598
0.85	High Similarity	NPC478056
0.85	High Similarity	NPC174663
0.85	High Similarity	NPC124703
0.8485	Intermediate Similarity	NPC132824
0.8485	Intermediate Similarity	NPC242848
0.8485	Intermediate Similarity	NPC230151
0.8485	Intermediate Similarity	NPC201657
0.8485	Intermediate Similarity	NPC327179
0.8469	Intermediate Similarity	NPC148964
0.8469	Intermediate Similarity	NPC296164
0.8469	Intermediate Similarity	NPC84893
0.8469	Intermediate Similarity	NPC209868
0.8454	Intermediate Similarity	NPC474525
0.8454	Intermediate Similarity	NPC105189
0.8454	Intermediate Similarity	NPC38754
0.8438	Intermediate Similarity	NPC290972
0.8438	Intermediate Similarity	NPC274330
0.8438	Intermediate Similarity	NPC64872
0.8438	Intermediate Similarity	NPC198664
0.8438	Intermediate Similarity	NPC470588
0.8438	Intermediate Similarity	NPC25906
0.8438	Intermediate Similarity	NPC143232
0.8431	Intermediate Similarity	NPC32577
0.8431	Intermediate Similarity	NPC114540
0.8431	Intermediate Similarity	NPC155332
0.8421	Intermediate Similarity	NPC102683
0.8421	Intermediate Similarity	NPC293564
0.8421	Intermediate Similarity	NPC51700
0.8421	Intermediate Similarity	NPC18064
0.8421	Intermediate Similarity	NPC88716
0.8421	Intermediate Similarity	NPC46912
0.8421	Intermediate Similarity	NPC242468
0.8421	Intermediate Similarity	NPC130577
0.8421	Intermediate Similarity	NPC98442
0.8421	Intermediate Similarity	NPC142415
0.8421	Intermediate Similarity	NPC162107
0.8421	Intermediate Similarity	NPC68160
0.8421	Intermediate Similarity	NPC171203
0.8421	Intermediate Similarity	NPC307426
0.8416	Intermediate Similarity	NPC473576
0.8416	Intermediate Similarity	NPC475156
0.8411	Intermediate Similarity	NPC90952
0.8411	Intermediate Similarity	NPC277769
0.8411	Intermediate Similarity	NPC4573
0.84	Intermediate Similarity	NPC175351
0.84	Intermediate Similarity	NPC261935
0.84	Intermediate Similarity	NPC53844
0.84	Intermediate Similarity	NPC121402
0.84	Intermediate Similarity	NPC158347
0.84	Intermediate Similarity	NPC132753
0.84	Intermediate Similarity	NPC253826
0.84	Intermediate Similarity	NPC151681
0.84	Intermediate Similarity	NPC224356
0.84	Intermediate Similarity	NPC106112
0.8367	Intermediate Similarity	NPC136313
0.8367	Intermediate Similarity	NPC63118
0.8367	Intermediate Similarity	NPC49776
0.8367	Intermediate Similarity	NPC74855
0.8367	Intermediate Similarity	NPC139692
0.8367	Intermediate Similarity	NPC229281
0.8367	Intermediate Similarity	NPC474436
0.8367	Intermediate Similarity	NPC115021
0.8367	Intermediate Similarity	NPC307335
0.8365	Intermediate Similarity	NPC88349
0.8351	Intermediate Similarity	NPC227467
0.8351	Intermediate Similarity	NPC210037
0.8351	Intermediate Similarity	NPC51486
0.8351	Intermediate Similarity	NPC477872
0.8351	Intermediate Similarity	NPC7260
0.8351	Intermediate Similarity	NPC273621
0.8351	Intermediate Similarity	NPC120968
0.8351	Intermediate Similarity	NPC290614
0.8351	Intermediate Similarity	NPC18872
0.8351	Intermediate Similarity	NPC46441
0.835	Intermediate Similarity	NPC473283
0.835	Intermediate Similarity	NPC180204
0.835	Intermediate Similarity	NPC329345
0.835	Intermediate Similarity	NPC90177
0.835	Intermediate Similarity	NPC112009
0.835	Intermediate Similarity	NPC475526
0.8333	Intermediate Similarity	NPC17733
0.8333	Intermediate Similarity	NPC181225
0.8333	Intermediate Similarity	NPC474512
0.8333	Intermediate Similarity	NPC473242
0.8333	Intermediate Similarity	NPC470629
0.8333	Intermediate Similarity	NPC290690
0.8333	Intermediate Similarity	NPC122056
0.8318	Intermediate Similarity	NPC474315
0.8317	Intermediate Similarity	NPC29765
0.8317	Intermediate Similarity	NPC58942
0.8317	Intermediate Similarity	NPC111214
0.8317	Intermediate Similarity	NPC271614
0.8317	Intermediate Similarity	NPC188833
0.8317	Intermediate Similarity	NPC260149
0.8316	Intermediate Similarity	NPC72638
0.8316	Intermediate Similarity	NPC91525
0.8316	Intermediate Similarity	NPC325594
0.8316	Intermediate Similarity	NPC322159

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC476890 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	160
0.1-0.2	1228
0.2-0.3	3263
0.3-0.4	2800
0.4-0.5	1086
0.5-0.6	319
0.6-0.7	194
0.7-0.8	102
0.8-0.85	6
0.85-0.9	2
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9053	High Similarity	NPD7748	Approved
0.8842	High Similarity	NPD7515	Phase 2
0.8776	High Similarity	NPD7902	Approved
0.8469	Intermediate Similarity	NPD7901	Clinical (unspecified phase)
0.8469	Intermediate Similarity	NPD7900	Approved
0.8137	Intermediate Similarity	NPD7638	Approved
0.8108	Intermediate Similarity	NPD7115	Discovery
0.8058	Intermediate Similarity	NPD7639	Approved
0.8058	Intermediate Similarity	NPD7640	Approved
0.7788	Intermediate Similarity	NPD4225	Approved
0.7778	Intermediate Similarity	NPD7513	Clinical (unspecified phase)
0.7692	Intermediate Similarity	NPD6084	Phase 2
0.7692	Intermediate Similarity	NPD6083	Phase 2
0.7692	Intermediate Similarity	NPD8328	Phase 3
0.7685	Intermediate Similarity	NPD6402	Approved
0.7685	Intermediate Similarity	NPD7128	Approved
0.7685	Intermediate Similarity	NPD5739	Approved
0.7685	Intermediate Similarity	NPD6675	Approved
0.7579	Intermediate Similarity	NPD7645	Phase 2
0.7576	Intermediate Similarity	NPD7146	Approved
0.7576	Intermediate Similarity	NPD6684	Approved
0.7576	Intermediate Similarity	NPD7334	Approved
0.7576	Intermediate Similarity	NPD5330	Approved
0.7576	Intermediate Similarity	NPD7521	Approved
0.7576	Intermediate Similarity	NPD6409	Approved
0.7576	Intermediate Similarity	NPD3618	Phase 1
0.7549	Intermediate Similarity	NPD8035	Phase 2
0.7549	Intermediate Similarity	NPD8034	Phase 2
0.7549	Intermediate Similarity	NPD6411	Approved
0.7545	Intermediate Similarity	NPD6899	Approved
0.7545	Intermediate Similarity	NPD6881	Approved
0.7545	Intermediate Similarity	NPD7320	Approved
0.7526	Intermediate Similarity	NPD4752	Clinical (unspecified phase)
0.7525	Intermediate Similarity	NPD5328	Approved
0.7525	Intermediate Similarity	NPD7285	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD8130	Phase 1
0.7477	Intermediate Similarity	NPD6373	Approved
0.7477	Intermediate Similarity	NPD6372	Approved
0.7476	Intermediate Similarity	NPD6399	Phase 3
0.7475	Intermediate Similarity	NPD1694	Approved
0.7475	Intermediate Similarity	NPD7520	Clinical (unspecified phase)
0.7455	Intermediate Similarity	NPD5697	Approved
0.7455	Intermediate Similarity	NPD5701	Approved
0.7434	Intermediate Similarity	NPD8297	Approved
0.7426	Intermediate Similarity	NPD6903	Approved
0.7426	Intermediate Similarity	NPD5737	Approved
0.7426	Intermediate Similarity	NPD6672	Approved
0.7411	Intermediate Similarity	NPD7102	Approved
0.7411	Intermediate Similarity	NPD6883	Approved
0.7411	Intermediate Similarity	NPD7290	Approved
0.7407	Intermediate Similarity	NPD7632	Discontinued
0.7387	Intermediate Similarity	NPD6686	Approved
0.7379	Intermediate Similarity	NPD6079	Approved
0.7374	Intermediate Similarity	NPD3133	Approved
0.7374	Intermediate Similarity	NPD3666	Approved
0.7374	Intermediate Similarity	NPD3665	Phase 1
0.7353	Intermediate Similarity	NPD5764	Clinical (unspecified phase)
0.7353	Intermediate Similarity	NPD6101	Approved
0.7345	Intermediate Similarity	NPD6869	Approved
0.7345	Intermediate Similarity	NPD6650	Approved
0.7345	Intermediate Similarity	NPD6649	Approved
0.7345	Intermediate Similarity	NPD6847	Approved
0.7345	Intermediate Similarity	NPD6617	Approved
0.7333	Intermediate Similarity	NPD5695	Phase 3
0.7327	Intermediate Similarity	NPD3573	Approved
0.7321	Intermediate Similarity	NPD4061	Clinical (unspecified phase)
0.7321	Intermediate Similarity	NPD6013	Approved
0.7321	Intermediate Similarity	NPD6012	Approved
0.7321	Intermediate Similarity	NPD6014	Approved
0.7308	Intermediate Similarity	NPD5778	Approved
0.7308	Intermediate Similarity	NPD5779	Approved
0.729	Intermediate Similarity	NPD5696	Approved
0.7281	Intermediate Similarity	NPD6882	Approved
0.7236	Intermediate Similarity	NPD7319	Approved
0.7232	Intermediate Similarity	NPD6011	Approved
0.7228	Intermediate Similarity	NPD3574	Clinical (unspecified phase)
0.7212	Intermediate Similarity	NPD5693	Phase 1
0.72	Intermediate Similarity	NPD4786	Approved
0.7196	Intermediate Similarity	NPD4755	Approved
0.7193	Intermediate Similarity	NPD6401	Clinical (unspecified phase)
0.7184	Intermediate Similarity	NPD4753	Phase 2
0.7179	Intermediate Similarity	NPD8295	Clinical (unspecified phase)
0.7172	Intermediate Similarity	NPD3667	Approved
0.717	Intermediate Similarity	NPD6356	Clinical (unspecified phase)
0.7168	Intermediate Similarity	NPD8132	Clinical (unspecified phase)
0.7154	Intermediate Similarity	NPD7736	Approved
0.7143	Intermediate Similarity	NPD6412	Phase 2
0.7143	Intermediate Similarity	NPD4202	Approved
0.7131	Intermediate Similarity	NPD7507	Approved
0.7115	Intermediate Similarity	NPD5785	Approved
0.7105	Intermediate Similarity	NPD5955	Clinical (unspecified phase)
0.7103	Intermediate Similarity	NPD5220	Clinical (unspecified phase)
0.7103	Intermediate Similarity	NPD5221	Approved
0.7103	Intermediate Similarity	NPD4697	Phase 3
0.7103	Intermediate Similarity	NPD7732	Phase 3
0.7103	Intermediate Similarity	NPD5222	Approved
0.7103	Intermediate Similarity	NPD7614	Phase 1
0.7091	Intermediate Similarity	NPD5211	Phase 2
0.708	Intermediate Similarity	NPD5345	Clinical (unspecified phase)
0.7064	Intermediate Similarity	NPD5285	Approved
0.7064	Intermediate Similarity	NPD4700	Approved
0.7064	Intermediate Similarity	NPD5286	Approved
0.7064	Intermediate Similarity	NPD4696	Approved
0.7037	Intermediate Similarity	NPD5173	Approved
0.7019	Intermediate Similarity	NPD6673	Approved
0.7019	Intermediate Similarity	NPD6080	Approved
0.7019	Intermediate Similarity	NPD6904	Approved
0.7009	Intermediate Similarity	NPD1698	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD6319	Approved
0.7	Intermediate Similarity	NPD8377	Approved
0.7	Intermediate Similarity	NPD8294	Approved
0.697	Remote Similarity	NPD4695	Discontinued
0.6964	Remote Similarity	NPD5141	Approved
0.6949	Remote Similarity	NPD6274	Approved
0.6949	Remote Similarity	NPD6868	Approved
0.6942	Remote Similarity	NPD8033	Approved
0.6942	Remote Similarity	NPD8378	Approved
0.6942	Remote Similarity	NPD8380	Approved
0.6942	Remote Similarity	NPD8335	Approved
0.6942	Remote Similarity	NPD8379	Approved
0.6942	Remote Similarity	NPD8296	Approved
0.6937	Remote Similarity	NPD5226	Approved
0.6937	Remote Similarity	NPD4633	Approved
0.6937	Remote Similarity	NPD5224	Approved
0.6937	Remote Similarity	NPD5225	Approved
0.6935	Remote Similarity	NPD8293	Discontinued
0.6923	Remote Similarity	NPD8133	Approved
0.6917	Remote Similarity	NPD7100	Approved
0.6917	Remote Similarity	NPD7101	Approved
0.6911	Remote Similarity	NPD7492	Approved
0.6893	Remote Similarity	NPD4519	Discontinued
0.6893	Remote Similarity	NPD5279	Phase 3
0.6893	Remote Similarity	NPD4623	Approved
0.6887	Remote Similarity	NPD7637	Suspended
0.6875	Remote Similarity	NPD5174	Approved
0.6875	Remote Similarity	NPD5175	Approved
0.686	Remote Similarity	NPD6054	Approved
0.686	Remote Similarity	NPD6059	Approved
0.6857	Remote Similarity	NPD6051	Approved
0.6855	Remote Similarity	NPD6616	Approved
0.6852	Remote Similarity	NPD5210	Approved
0.6852	Remote Similarity	NPD4629	Approved
0.6847	Remote Similarity	NPD5223	Approved
0.6842	Remote Similarity	NPD5954	Clinical (unspecified phase)
0.6838	Remote Similarity	NPD6053	Discontinued
0.6833	Remote Similarity	NPD7328	Approved
0.6833	Remote Similarity	NPD6335	Approved
0.6833	Remote Similarity	NPD7327	Approved
0.6832	Remote Similarity	NPD4221	Approved
0.6832	Remote Similarity	NPD4223	Phase 3
0.681	Remote Similarity	NPD4634	Approved
0.6804	Remote Similarity	NPD8039	Approved
0.6803	Remote Similarity	NPD6908	Approved
0.6803	Remote Similarity	NPD7503	Approved
0.6803	Remote Similarity	NPD6909	Approved
0.68	Remote Similarity	NPD7078	Approved
0.6796	Remote Similarity	NPD5329	Approved
0.6792	Remote Similarity	NPD6698	Approved
0.6792	Remote Similarity	NPD46	Approved
0.678	Remote Similarity	NPD4632	Approved
0.6777	Remote Similarity	NPD7516	Approved
0.6762	Remote Similarity	NPD5208	Approved
0.6759	Remote Similarity	NPD6001	Approved
0.6754	Remote Similarity	NPD4767	Approved
0.6754	Remote Similarity	NPD4768	Approved
0.6754	Remote Similarity	NPD6008	Approved
0.675	Remote Similarity	NPD6317	Approved
0.6748	Remote Similarity	NPD6370	Approved
0.6731	Remote Similarity	NPD6098	Approved
0.6729	Remote Similarity	NPD5284	Approved
0.6729	Remote Similarity	NPD5281	Approved
0.6729	Remote Similarity	NPD6050	Approved
0.6726	Remote Similarity	NPD4754	Approved
0.6699	Remote Similarity	NPD3668	Phase 3
0.6699	Remote Similarity	NPD4197	Approved
0.6699	Remote Similarity	NPD6400	Clinical (unspecified phase)
0.6694	Remote Similarity	NPD6313	Approved
0.6694	Remote Similarity	NPD6314	Approved
0.6667	Remote Similarity	NPD6015	Approved
0.6667	Remote Similarity	NPD8517	Approved
0.6667	Remote Similarity	NPD8513	Phase 3
0.6667	Remote Similarity	NPD6016	Approved
0.6667	Remote Similarity	NPD8516	Approved
0.6667	Remote Similarity	NPD8515	Approved
0.6667	Remote Similarity	NPD6371	Approved
0.6638	Remote Similarity	NPD5128	Approved
0.6638	Remote Similarity	NPD4729	Approved
0.6638	Remote Similarity	NPD4730	Approved
0.6636	Remote Similarity	NPD5692	Phase 3
0.6635	Remote Similarity	NPD5363	Approved
0.6634	Remote Similarity	NPD7525	Registered
0.6613	Remote Similarity	NPD5988	Approved
0.6612	Remote Similarity	NPD6009	Approved
0.6602	Remote Similarity	NPD4788	Approved
0.66	Remote Similarity	NPD5784	Clinical (unspecified phase)
0.66	Remote Similarity	NPD3617	Approved
0.6574	Remote Similarity	NPD5694	Approved
0.6571	Remote Similarity	NPD4138	Approved
0.6571	Remote Similarity	NPD4690	Approved
0.6571	Remote Similarity	NPD4689	Approved

Structure

External Identifiers

PubChem CID	45269015
ChEMBL	CHEMBL552717
ZINC

Physicochemical Properties

Molecular Weight:	568.38
ALogP:	2.8544
MLogP:	4.65
XLogP:	7.908
# Rotatable Bonds:	15
Polar Surface Area:	100.9
# H-Bond Aceptor:	6
# H-Bond Donor:	2
# Rings:	5
# Heavy Atoms:	41

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