NPASS Natural Product

Natural Product: NPC169450

Natural Product ID:	NPC169450
Common Name:	2,2'-Oxybis(Methylene)Dibenzene-1,4-Diol
IUPAC Name:	2-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol
Synonyms:
Molecular Formula:	C14H14O5
Standard InCHIKey:	GVXQAQDFTPTJMX-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C14H14O5/c15-11-1-3-13(17)9(5-11)7-19-8-10-6-12(16)2-4-14(10)18/h1-6,15-18H,7-8H2
Canonical SMILES:	Oc1ccc(cc1COCc1cc(O)ccc1O)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
NPO28718	Penicillium terrestre	Species	Aspergillaceae	Eukaryota				PMID[18163588]

Biological Activity

Activity Type	# Activity
IC50	5

Activity Type	# Activity
Cell Line	4
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT112	Cell Line	MOLT-4	Homo sapiens	IC50	=	5600	nM	Open TG-GATES in vivo data: Hematology
NPT81	Cell Line	A549	Homo sapiens	IC50	=	18200	nM	12930149
NPT181	Cell Line	Bel-7402	Homo sapiens	IC50	=	57300	nM	19128055
NPT2	Others	Unspecified		IC50	=	4600	nM	19128055
NPT116	Cell Line	HL-60	Homo sapiens	IC50	=	5500	nM	23558238

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 NPC169450 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	189
0.1-0.2	1098
0.2-0.3	3107
0.3-0.4	8969
0.4-0.5	4235
0.5-0.6	4224
0.6-0.7	6970
0.7-0.8	1966
0.8-0.85	117
0.85-0.9	11
0.9-0.95	3
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9406	High Similarity	NPC130817
0.9346	High Similarity	NPC301321
0.9167	High Similarity	NPC232165
0.8911	High Similarity	NPC88420
0.8868	High Similarity	NPC241549
0.8839	High Similarity	NPC121866
0.8679	High Similarity	NPC67250
0.8654	High Similarity	NPC12221
0.8598	High Similarity	NPC233320
0.8571	High Similarity	NPC233827
0.8559	High Similarity	NPC470837
0.8558	High Similarity	NPC130103
0.8547	High Similarity	NPC33402
0.8515	High Similarity	NPC29373
0.8421	Intermediate Similarity	NPC283616
0.8411	Intermediate Similarity	NPC292452
0.8407	Intermediate Similarity	NPC290470
0.8407	Intermediate Similarity	NPC154256
0.8407	Intermediate Similarity	NPC203113
0.8396	Intermediate Similarity	NPC168393
0.8378	Intermediate Similarity	NPC228452
0.8378	Intermediate Similarity	NPC474920
0.8365	Intermediate Similarity	NPC475078
0.8365	Intermediate Similarity	NPC152097
0.8362	Intermediate Similarity	NPC100108
0.8362	Intermediate Similarity	NPC277798
0.8333	Intermediate Similarity	NPC54765
0.8319	Intermediate Similarity	NPC808
0.8319	Intermediate Similarity	NPC33654
0.8318	Intermediate Similarity	NPC474603
0.8318	Intermediate Similarity	NPC323810
0.8318	Intermediate Similarity	NPC12987
0.8318	Intermediate Similarity	NPC102216
0.8317	Intermediate Similarity	NPC47950
0.8317	Intermediate Similarity	NPC312304
0.8305	Intermediate Similarity	NPC261992
0.8304	Intermediate Similarity	NPC261343
0.8288	Intermediate Similarity	NPC275627
0.8286	Intermediate Similarity	NPC260775
0.8257	Intermediate Similarity	NPC474352
0.8246	Intermediate Similarity	NPC150624
0.822	Intermediate Similarity	NPC77789
0.822	Intermediate Similarity	NPC132518
0.822	Intermediate Similarity	NPC477151
0.822	Intermediate Similarity	NPC188997
0.822	Intermediate Similarity	NPC18128
0.8208	Intermediate Similarity	NPC130756
0.8208	Intermediate Similarity	NPC294741
0.8208	Intermediate Similarity	NPC12931
0.8208	Intermediate Similarity	NPC129373
0.8208	Intermediate Similarity	NPC48730
0.8208	Intermediate Similarity	NPC174911
0.8208	Intermediate Similarity	NPC248396
0.8208	Intermediate Similarity	NPC70677
0.8198	Intermediate Similarity	NPC94045
0.819	Intermediate Similarity	NPC20230
0.819	Intermediate Similarity	NPC291789
0.819	Intermediate Similarity	NPC38181
0.819	Intermediate Similarity	NPC156313
0.8182	Intermediate Similarity	NPC75440
0.8182	Intermediate Similarity	NPC95344
0.8174	Intermediate Similarity	NPC50521
0.8174	Intermediate Similarity	NPC221549
0.8174	Intermediate Similarity	NPC69261
0.8174	Intermediate Similarity	NPC33270
0.8174	Intermediate Similarity	NPC244816
0.8173	Intermediate Similarity	NPC274678
0.8165	Intermediate Similarity	NPC135464
0.8165	Intermediate Similarity	NPC92623
0.8158	Intermediate Similarity	NPC473718
0.8148	Intermediate Similarity	NPC93831
0.8131	Intermediate Similarity	NPC143659
0.8131	Intermediate Similarity	NPC100340
0.8131	Intermediate Similarity	NPC80800
0.8125	Intermediate Similarity	NPC296920
0.8125	Intermediate Similarity	NPC266932
0.8125	Intermediate Similarity	NPC90520
0.812	Intermediate Similarity	NPC328485
0.8108	Intermediate Similarity	NPC473524
0.8103	Intermediate Similarity	NPC190514
0.8103	Intermediate Similarity	NPC63010
0.8091	Intermediate Similarity	NPC320439
0.8091	Intermediate Similarity	NPC66834
0.8077	Intermediate Similarity	NPC128062
0.8077	Intermediate Similarity	NPC76938
0.8073	Intermediate Similarity	NPC471350
0.8073	Intermediate Similarity	NPC154899
0.8073	Intermediate Similarity	NPC233396
0.807	Intermediate Similarity	NPC22610
0.807	Intermediate Similarity	NPC276737
0.8065	Intermediate Similarity	NPC193334
0.8058	Intermediate Similarity	NPC231150
0.8056	Intermediate Similarity	NPC471228
0.8056	Intermediate Similarity	NPC235762
0.8056	Intermediate Similarity	NPC108497
0.8053	Intermediate Similarity	NPC26615
0.8053	Intermediate Similarity	NPC153795
0.8053	Intermediate Similarity	NPC290353
0.8053	Intermediate Similarity	NPC42911
0.8053	Intermediate Similarity	NPC280606
0.8053	Intermediate Similarity	NPC98372
0.8053	Intermediate Similarity	NPC302371
0.8051	Intermediate Similarity	NPC473875
0.8051	Intermediate Similarity	NPC129176
0.8037	Intermediate Similarity	NPC248573
0.8037	Intermediate Similarity	NPC161571
0.8037	Intermediate Similarity	NPC275053
0.8036	Intermediate Similarity	NPC471535
0.8034	Intermediate Similarity	NPC184302
0.8034	Intermediate Similarity	NPC32152
0.8033	Intermediate Similarity	NPC216836
0.8019	Intermediate Similarity	NPC474073
0.8018	Intermediate Similarity	NPC174981
0.8018	Intermediate Similarity	NPC206341
0.8017	Intermediate Similarity	NPC219070
0.8017	Intermediate Similarity	NPC476266
0.8017	Intermediate Similarity	NPC470759
0.8017	Intermediate Similarity	NPC127894
0.8017	Intermediate Similarity	NPC15860
0.8	Intermediate Similarity	NPC302681
0.8	Intermediate Similarity	NPC470700
0.8	Intermediate Similarity	NPC32714
0.8	Intermediate Similarity	NPC477152
0.8	Intermediate Similarity	NPC109691
0.8	Intermediate Similarity	NPC155072
0.8	Intermediate Similarity	NPC118286
0.8	Intermediate Similarity	NPC39097
0.8	Intermediate Similarity	NPC167934
0.8	Intermediate Similarity	NPC53906
0.8	Intermediate Similarity	NPC39664
0.8	Intermediate Similarity	NPC248786
0.7984	Intermediate Similarity	NPC229231
0.7983	Intermediate Similarity	NPC476633
0.7983	Intermediate Similarity	NPC75713
0.7983	Intermediate Similarity	NPC476165
0.7982	Intermediate Similarity	NPC475580
0.7982	Intermediate Similarity	NPC190212
0.7982	Intermediate Similarity	NPC241891
0.7982	Intermediate Similarity	NPC475225
0.7982	Intermediate Similarity	NPC30506
0.7981	Intermediate Similarity	NPC271440
0.7967	Intermediate Similarity	NPC40377
0.7967	Intermediate Similarity	NPC266691
0.7967	Intermediate Similarity	NPC63179
0.7967	Intermediate Similarity	NPC311293
0.7967	Intermediate Similarity	NPC148366
0.7966	Intermediate Similarity	NPC67791
0.7966	Intermediate Similarity	NPC474131
0.7966	Intermediate Similarity	NPC232295
0.7965	Intermediate Similarity	NPC54373
0.7965	Intermediate Similarity	NPC255068
0.7963	Intermediate Similarity	NPC7686
0.7963	Intermediate Similarity	NPC477685
0.7963	Intermediate Similarity	NPC40258
0.7963	Intermediate Similarity	NPC91461
0.7949	Intermediate Similarity	NPC275519
0.7949	Intermediate Similarity	NPC329980
0.7949	Intermediate Similarity	NPC74821
0.7946	Intermediate Similarity	NPC202647
0.7946	Intermediate Similarity	NPC33728
0.7946	Intermediate Similarity	NPC265211
0.7946	Intermediate Similarity	NPC19808
0.7946	Intermediate Similarity	NPC98392
0.7946	Intermediate Similarity	NPC306045
0.7941	Intermediate Similarity	NPC27974
0.7931	Intermediate Similarity	NPC301651
0.7931	Intermediate Similarity	NPC473556
0.7931	Intermediate Similarity	NPC69539
0.7931	Intermediate Similarity	NPC163398
0.7931	Intermediate Similarity	NPC141090
0.7931	Intermediate Similarity	NPC114064
0.7928	Intermediate Similarity	NPC54844
0.7921	Intermediate Similarity	NPC155393
0.7917	Intermediate Similarity	NPC302211
0.7917	Intermediate Similarity	NPC204535
0.7917	Intermediate Similarity	NPC46586
0.7917	Intermediate Similarity	NPC325301
0.7913	Intermediate Similarity	NPC228287
0.7913	Intermediate Similarity	NPC41851
0.7913	Intermediate Similarity	NPC180508
0.7909	Intermediate Similarity	NPC246056
0.7909	Intermediate Similarity	NPC47284
0.7909	Intermediate Similarity	NPC134829
0.7905	Intermediate Similarity	NPC245187
0.7903	Intermediate Similarity	NPC45824
0.7903	Intermediate Similarity	NPC58164
0.7903	Intermediate Similarity	NPC10225
0.7899	Intermediate Similarity	NPC102639
0.7899	Intermediate Similarity	NPC475529
0.7899	Intermediate Similarity	NPC470414
0.7899	Intermediate Similarity	NPC96423
0.7895	Intermediate Similarity	NPC43525
0.789	Intermediate Similarity	NPC269212
0.7886	Intermediate Similarity	NPC257947
0.7886	Intermediate Similarity	NPC50368
0.7886	Intermediate Similarity	NPC66331
0.7885	Intermediate Similarity	NPC45040
0.7881	Intermediate Similarity	NPC51341
0.7881	Intermediate Similarity	NPC151197
0.7881	Intermediate Similarity	NPC295259

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC169450 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	204
0.1-0.2	899
0.2-0.3	1427
0.3-0.4	2700
0.4-0.5	2011
0.5-0.6	1162
0.6-0.7	667
0.7-0.8	87
0.8-0.85	3
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8679	High Similarity	NPD968	Approved
0.8208	Intermediate Similarity	NPD289	Clinical (unspecified phase)
0.8158	Intermediate Similarity	NPD6671	Approved
0.8037	Intermediate Similarity	NPD1242	Phase 1
0.7949	Intermediate Similarity	NPD1548	Phase 1
0.7886	Intermediate Similarity	NPD2861	Phase 2
0.7833	Intermediate Similarity	NPD1610	Phase 2
0.783	Intermediate Similarity	NPD844	Approved
0.7768	Intermediate Similarity	NPD290	Approved
0.7757	Intermediate Similarity	NPD288	Approved
0.775	Intermediate Similarity	NPD3496	Discontinued
0.7739	Intermediate Similarity	NPD7635	Approved
0.7736	Intermediate Similarity	NPD2934	Approved
0.7736	Intermediate Similarity	NPD2933	Approved
0.7717	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7717	Intermediate Similarity	NPD1613	Approved
0.768	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7664	Intermediate Similarity	NPD2859	Approved
0.7664	Intermediate Similarity	NPD2860	Approved
0.7615	Intermediate Similarity	NPD3020	Approved
0.76	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7561	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7541	Intermediate Similarity	NPD1091	Approved
0.754	Intermediate Similarity	NPD4908	Phase 1
0.75	Intermediate Similarity	NPD228	Approved
0.748	Intermediate Similarity	NPD3027	Phase 3
0.7478	Intermediate Similarity	NPD4750	Phase 3
0.7478	Intermediate Similarity	NPD3022	Approved
0.7478	Intermediate Similarity	NPD3021	Approved
0.7477	Intermediate Similarity	NPD846	Approved
0.7477	Intermediate Similarity	NPD940	Approved
0.7456	Intermediate Similarity	NPD2342	Discontinued
0.7429	Intermediate Similarity	NPD9295	Approved
0.7424	Intermediate Similarity	NPD2935	Discontinued
0.7422	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7402	Intermediate Similarity	NPD600	Approved
0.7402	Intermediate Similarity	NPD596	Approved
0.7398	Intermediate Similarity	NPD1535	Discovery
0.7398	Intermediate Similarity	NPD1611	Approved
0.7395	Intermediate Similarity	NPD709	Approved
0.7379	Intermediate Similarity	NPD111	Approved
0.7364	Intermediate Similarity	NPD9273	Approved
0.7364	Intermediate Similarity	NPD840	Approved
0.7364	Intermediate Similarity	NPD839	Approved
0.7355	Intermediate Similarity	NPD1182	Approved
0.7344	Intermediate Similarity	NPD4625	Phase 3
0.7339	Intermediate Similarity	NPD2235	Phase 2
0.7339	Intermediate Similarity	NPD1481	Phase 2
0.7339	Intermediate Similarity	NPD2231	Phase 2
0.7333	Intermediate Similarity	NPD9493	Approved
0.7315	Intermediate Similarity	NPD845	Approved
0.7311	Intermediate Similarity	NPD497	Approved
0.7308	Intermediate Similarity	NPD4060	Phase 1
0.7302	Intermediate Similarity	NPD1203	Approved
0.728	Intermediate Similarity	NPD4749	Approved
0.7248	Intermediate Similarity	NPD1432	Clinical (unspecified phase)
0.7244	Intermediate Similarity	NPD6584	Phase 3
0.7236	Intermediate Similarity	NPD1778	Approved
0.7227	Intermediate Similarity	NPD5283	Phase 1
0.7227	Intermediate Similarity	NPD1398	Phase 1
0.7227	Intermediate Similarity	NPD496	Approved
0.7227	Intermediate Similarity	NPD495	Approved
0.7227	Intermediate Similarity	NPD498	Approved
0.7222	Intermediate Similarity	NPD3225	Approved
0.72	Intermediate Similarity	NPD2230	Approved
0.72	Intermediate Similarity	NPD2232	Approved
0.72	Intermediate Similarity	NPD2233	Approved
0.72	Intermediate Similarity	NPD9088	Approved
0.7154	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7154	Intermediate Similarity	NPD5585	Approved
0.7143	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.712	Intermediate Similarity	NPD422	Phase 1
0.7109	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7094	Intermediate Similarity	NPD2684	Approved
0.7087	Intermediate Similarity	NPD6696	Suspended
0.7063	Intermediate Similarity	NPD1840	Phase 2
0.7054	Intermediate Similarity	NPD3018	Phase 2
0.7049	Intermediate Similarity	NPD7340	Approved
0.7037	Intermediate Similarity	NPD1551	Phase 2
0.7034	Intermediate Similarity	NPD1792	Phase 2
0.7031	Intermediate Similarity	NPD2797	Approved
0.7027	Intermediate Similarity	NPD1809	Phase 2
0.7025	Intermediate Similarity	NPD9614	Approved
0.7025	Intermediate Similarity	NPD9618	Approved
0.7023	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7016	Intermediate Similarity	NPD6382	Discontinued
0.7015	Intermediate Similarity	NPD4978	Clinical (unspecified phase)
0.7008	Intermediate Similarity	NPD6583	Phase 3
0.7008	Intermediate Similarity	NPD6582	Phase 2
0.7	Intermediate Similarity	NPD821	Approved
0.7	Intermediate Similarity	NPD7843	Approved
0.6992	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6985	Remote Similarity	NPD2029	Clinical (unspecified phase)
0.6983	Remote Similarity	NPD9697	Approved
0.6977	Remote Similarity	NPD558	Phase 2
0.697	Remote Similarity	NPD6407	Approved
0.697	Remote Similarity	NPD6405	Approved
0.697	Remote Similarity	NPD6233	Phase 2
0.6967	Remote Similarity	NPD7157	Approved
0.6967	Remote Similarity	NPD2557	Approved
0.6963	Remote Similarity	NPD1510	Phase 2
0.696	Remote Similarity	NPD4626	Approved
0.6935	Remote Similarity	NPD1894	Discontinued
0.6935	Remote Similarity	NPD9545	Approved
0.6935	Remote Similarity	NPD3091	Approved
0.6931	Remote Similarity	NPD9294	Approved
0.693	Remote Similarity	NPD3028	Approved
0.6929	Remote Similarity	NPD9717	Approved
0.6929	Remote Similarity	NPD1608	Approved
0.6923	Remote Similarity	NPD1444	Approved
0.6923	Remote Similarity	NPD1445	Approved
0.6917	Remote Similarity	NPD2238	Phase 2
0.6912	Remote Similarity	NPD6032	Approved
0.6899	Remote Similarity	NPD3094	Phase 2
0.6894	Remote Similarity	NPD3268	Approved
0.6891	Remote Similarity	NPD5451	Approved
0.6885	Remote Similarity	NPD1476	Clinical (unspecified phase)
0.6884	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.6884	Remote Similarity	NPD5177	Phase 3
0.688	Remote Similarity	NPD5691	Approved
0.688	Remote Similarity	NPD1357	Approved
0.688	Remote Similarity	NPD3444	Approved
0.688	Remote Similarity	NPD3443	Approved
0.688	Remote Similarity	NPD3445	Approved
0.6875	Remote Similarity	NPD4359	Approved
0.6875	Remote Similarity	NPD2983	Phase 2
0.6875	Remote Similarity	NPD2982	Phase 2
0.6866	Remote Similarity	NPD447	Suspended
0.6866	Remote Similarity	NPD230	Phase 1
0.6864	Remote Similarity	NPD1358	Approved
0.6861	Remote Similarity	NPD7266	Discontinued
0.6861	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6861	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.686	Remote Similarity	NPD5535	Approved
0.6855	Remote Similarity	NPD9615	Approved
0.6855	Remote Similarity	NPD9613	Approved
0.6855	Remote Similarity	NPD9616	Approved
0.6855	Remote Similarity	NPD5536	Phase 2
0.6853	Remote Similarity	NPD1653	Approved
0.685	Remote Similarity	NPD1201	Approved
0.6838	Remote Similarity	NPD1753	Discontinued
0.6835	Remote Similarity	NPD3892	Phase 2
0.6833	Remote Similarity	NPD9280	Clinical (unspecified phase)
0.6831	Remote Similarity	NPD6090	Discontinued
0.6825	Remote Similarity	NPD2107	Clinical (unspecified phase)
0.6825	Remote Similarity	NPD5846	Approved
0.6825	Remote Similarity	NPD6516	Phase 2
0.6822	Remote Similarity	NPD1283	Approved
0.6822	Remote Similarity	NPD2922	Phase 1
0.6818	Remote Similarity	NPD9365	Approved
0.6815	Remote Similarity	NPD4097	Suspended
0.6812	Remote Similarity	NPD1549	Phase 2
0.681	Remote Similarity	NPD9500	Approved
0.6809	Remote Similarity	NPD1511	Approved
0.6807	Remote Similarity	NPD9266	Approved
0.6807	Remote Similarity	NPD74	Approved
0.68	Remote Similarity	NPD316	Approved
0.68	Remote Similarity	NPD9087	Approved
0.68	Remote Similarity	NPD2226	Clinical (unspecified phase)
0.6797	Remote Similarity	NPD2981	Phase 2
0.6794	Remote Similarity	NPD1712	Approved
0.6791	Remote Similarity	NPD1240	Approved
0.6786	Remote Similarity	NPD6190	Approved
0.678	Remote Similarity	NPD3134	Approved
0.6777	Remote Similarity	NPD6124	Clinical (unspecified phase)
0.6774	Remote Similarity	NPD405	Clinical (unspecified phase)
0.6772	Remote Similarity	NPD1983	Approved
0.6772	Remote Similarity	NPD3847	Discontinued
0.6772	Remote Similarity	NPD1980	Approved
0.6772	Remote Similarity	NPD1981	Approved
0.6769	Remote Similarity	NPD1470	Approved
0.6767	Remote Similarity	NPD6798	Discontinued
0.6767	Remote Similarity	NPD1048	Approved
0.6767	Remote Similarity	NPD411	Approved
0.6762	Remote Similarity	NPD9089	Approved
0.6761	Remote Similarity	NPD2505	Approved
0.6761	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6761	Remote Similarity	NPD2504	Approved
0.675	Remote Similarity	NPD9380	Clinical (unspecified phase)
0.6746	Remote Similarity	NPD3049	Approved
0.6746	Remote Similarity	NPD1651	Approved
0.6744	Remote Similarity	NPD1669	Approved
0.6742	Remote Similarity	NPD6832	Phase 2
0.6741	Remote Similarity	NPD6355	Discontinued
0.6735	Remote Similarity	NPD2801	Approved
0.6724	Remote Similarity	NPD291	Approved
0.6723	Remote Similarity	NPD9267	Approved
0.6723	Remote Similarity	NPD9264	Approved
0.6723	Remote Similarity	NPD9263	Approved
0.6721	Remote Similarity	NPD9379	Approved
0.6721	Remote Similarity	NPD9377	Approved
0.6721	Remote Similarity	NPD1138	Approved
0.6719	Remote Similarity	NPD3092	Approved
0.6719	Remote Similarity	NPD5350	Clinical (unspecified phase)
0.6719	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6719	Remote Similarity	NPD5351	Clinical (unspecified phase)
0.6718	Remote Similarity	NPD3690	Phase 2
0.6718	Remote Similarity	NPD3691	Phase 2
0.6716	Remote Similarity	NPD7477	Discontinued
0.6715	Remote Similarity	NPD4308	Phase 3

Structure

External Identifiers

PubChem CID	24770503
ChEMBL	CHEMBL254548
ZINC

Physicochemical Properties

Molecular Weight:	262.08
ALogP:	-1.9721
MLogP:	2.45
XLogP:	0.718
# Rotatable Bonds:	8
Polar Surface Area:	90.15
# H-Bond Aceptor:	1
# H-Bond Donor:	4
# Rings:	2
# Heavy Atoms:	19

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