NPASS Natural Product

Natural Product: NPC315769

Natural Product ID:	NPC315769
Common Name:	Dehydromutactin
IUPAC Name:
Synonyms:	Dehydromutactin
Molecular Formula:	C16H12O5
Standard InCHIKey:	MQXUOBANQWOATN-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C16H12O5/c1-8-5-12(19)16-10(3-2-4-11(16)18)15(8)13-6-9(17)7-14(20)21-13/h2-7,18-20H,1H3
Canonical SMILES:	Oc1cc(=O)cc(o1)c1c(C)cc(c2c1cccc2O)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
NPO10330	Streptomyces coelicolor	Species	Streptomycetaceae	Bacteria				StreptomeDB*

Biological Activity

Activity Type	# Activity
Kd	5
Others	1

Activity Type	# Activity
Cell Line	1
Individual Protein	5

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT927	Cell Line	PBMC	Homo sapiens	Activity	=	97	%	17632515
NPT5886	Individual Protein	ELAV-like protein 1	Homo sapiens	Kd	=	0.01	nM	17632515
NPT5886	Individual Protein	ELAV-like protein 1	Homo sapiens	Kd	=	0.1	nM	17632515
NPT5886	Individual Protein	ELAV-like protein 1	Homo sapiens	Kd	=	9	nM	17632515
NPT5886	Individual Protein	ELAV-like protein 1	Homo sapiens	Kd	=	6	nM	17632515

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 NPC315769 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	224
0.1-0.2	1271
0.2-0.3	2060
0.3-0.4	5816
0.4-0.5	7709
0.5-0.6	2709
0.6-0.7	5982
0.7-0.8	4982
0.8-0.85	130
0.85-0.9	5
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9449	High Similarity	NPC191395
0.8864	High Similarity	NPC185777
0.8626	High Similarity	NPC215300
0.855	High Similarity	NPC53781
0.8538	High Similarity	NPC105031
0.85	High Similarity	NPC36732
0.8485	Intermediate Similarity	NPC38017
0.8473	Intermediate Similarity	NPC170485
0.8462	Intermediate Similarity	NPC138248
0.8462	Intermediate Similarity	NPC228503
0.844	Intermediate Similarity	NPC86069
0.8433	Intermediate Similarity	NPC282508
0.8409	Intermediate Similarity	NPC473221
0.8397	Intermediate Similarity	NPC105718
0.8397	Intermediate Similarity	NPC278955
0.8346	Intermediate Similarity	NPC63010
0.8333	Intermediate Similarity	NPC82299
0.8321	Intermediate Similarity	NPC37410
0.832	Intermediate Similarity	NPC249270
0.8309	Intermediate Similarity	NPC472524
0.8296	Intermediate Similarity	NPC160623
0.8284	Intermediate Similarity	NPC16577
0.8271	Intermediate Similarity	NPC46978
0.8261	Intermediate Similarity	NPC206525
0.8261	Intermediate Similarity	NPC133463
0.8261	Intermediate Similarity	NPC472649
0.8261	Intermediate Similarity	NPC472647
0.8261	Intermediate Similarity	NPC191462
0.8261	Intermediate Similarity	NPC472648
0.8261	Intermediate Similarity	NPC170328
0.8261	Intermediate Similarity	NPC115861
0.8258	Intermediate Similarity	NPC232387
0.8258	Intermediate Similarity	NPC113495
0.8231	Intermediate Similarity	NPC476633
0.8222	Intermediate Similarity	NPC254000
0.8222	Intermediate Similarity	NPC32463
0.8219	Intermediate Similarity	NPC325983
0.8207	Intermediate Similarity	NPC27221
0.8207	Intermediate Similarity	NPC7025
0.8207	Intermediate Similarity	NPC256672
0.8201	Intermediate Similarity	NPC200935
0.8201	Intermediate Similarity	NPC71465
0.8201	Intermediate Similarity	NPC266453
0.8201	Intermediate Similarity	NPC56329
0.8201	Intermediate Similarity	NPC242715
0.8201	Intermediate Similarity	NPC266006
0.8201	Intermediate Similarity	NPC230919
0.8201	Intermediate Similarity	NPC472646
0.8188	Intermediate Similarity	NPC258780
0.8175	Intermediate Similarity	NPC107240
0.8169	Intermediate Similarity	NPC94076
0.8169	Intermediate Similarity	NPC182255
0.8163	Intermediate Similarity	NPC258249
0.8162	Intermediate Similarity	NPC8899
0.816	Intermediate Similarity	NPC46940
0.8156	Intermediate Similarity	NPC168471
0.8156	Intermediate Similarity	NPC472523
0.8154	Intermediate Similarity	NPC100108
0.8154	Intermediate Similarity	NPC277798
0.8154	Intermediate Similarity	NPC102639
0.8151	Intermediate Similarity	NPC329933
0.8151	Intermediate Similarity	NPC80370
0.8151	Intermediate Similarity	NPC158338
0.8151	Intermediate Similarity	NPC100985
0.8151	Intermediate Similarity	NPC288036
0.8151	Intermediate Similarity	NPC97028
0.8151	Intermediate Similarity	NPC65589
0.8151	Intermediate Similarity	NPC97029
0.8143	Intermediate Similarity	NPC275061
0.8143	Intermediate Similarity	NPC243759
0.8143	Intermediate Similarity	NPC105847
0.8143	Intermediate Similarity	NPC243996
0.8143	Intermediate Similarity	NPC218131
0.8143	Intermediate Similarity	NPC220344
0.8143	Intermediate Similarity	NPC132804
0.8138	Intermediate Similarity	NPC123202
0.8138	Intermediate Similarity	NPC7943
0.8138	Intermediate Similarity	NPC22005
0.8138	Intermediate Similarity	NPC34802
0.8129	Intermediate Similarity	NPC30632
0.8125	Intermediate Similarity	NPC470760
0.8116	Intermediate Similarity	NPC131950
0.8112	Intermediate Similarity	NPC84266
0.8102	Intermediate Similarity	NPC469611
0.8102	Intermediate Similarity	NPC165612
0.8095	Intermediate Similarity	NPC117846
0.8095	Intermediate Similarity	NPC205766
0.8085	Intermediate Similarity	NPC308768
0.8085	Intermediate Similarity	NPC273623
0.8085	Intermediate Similarity	NPC12668
0.808	Intermediate Similarity	NPC95716
0.808	Intermediate Similarity	NPC151537
0.8077	Intermediate Similarity	NPC103916
0.8074	Intermediate Similarity	NPC181675
0.8071	Intermediate Similarity	NPC151656
0.8071	Intermediate Similarity	NPC22902
0.8071	Intermediate Similarity	NPC35550
0.8069	Intermediate Similarity	NPC163846
0.8069	Intermediate Similarity	NPC225173
0.8058	Intermediate Similarity	NPC241241
0.8058	Intermediate Similarity	NPC294884
0.8058	Intermediate Similarity	NPC158142
0.8058	Intermediate Similarity	NPC10314
0.8058	Intermediate Similarity	NPC69029
0.8058	Intermediate Similarity	NPC108198
0.8058	Intermediate Similarity	NPC200557
0.8056	Intermediate Similarity	NPC21599
0.8056	Intermediate Similarity	NPC193703
0.8054	Intermediate Similarity	NPC329844
0.8054	Intermediate Similarity	NPC210942
0.8054	Intermediate Similarity	NPC169990
0.8047	Intermediate Similarity	NPC115808
0.8047	Intermediate Similarity	NPC261973
0.8045	Intermediate Similarity	NPC224342
0.8043	Intermediate Similarity	NPC469610
0.8042	Intermediate Similarity	NPC201297
0.8041	Intermediate Similarity	NPC230848
0.8029	Intermediate Similarity	NPC15543
0.8016	Intermediate Similarity	NPC43525
0.8015	Intermediate Similarity	NPC129176
0.8015	Intermediate Similarity	NPC471518
0.8015	Intermediate Similarity	NPC471519
0.8014	Intermediate Similarity	NPC312929
0.8014	Intermediate Similarity	NPC126767
0.8014	Intermediate Similarity	NPC142863
0.8014	Intermediate Similarity	NPC125801
0.8014	Intermediate Similarity	NPC118027
0.8014	Intermediate Similarity	NPC289042
0.8014	Intermediate Similarity	NPC190648
0.8014	Intermediate Similarity	NPC245584
0.8014	Intermediate Similarity	NPC56433
0.8	Intermediate Similarity	NPC202846
0.8	Intermediate Similarity	NPC224870
0.8	Intermediate Similarity	NPC205442
0.8	Intermediate Similarity	NPC143139
0.8	Intermediate Similarity	NPC184302
0.7987	Intermediate Similarity	NPC175978
0.7986	Intermediate Similarity	NPC160697
0.7986	Intermediate Similarity	NPC125649
0.7986	Intermediate Similarity	NPC473107
0.7985	Intermediate Similarity	NPC293801
0.7985	Intermediate Similarity	NPC168259
0.7984	Intermediate Similarity	NPC244816
0.7984	Intermediate Similarity	NPC50521
0.7984	Intermediate Similarity	NPC221549
0.7984	Intermediate Similarity	NPC195466
0.7973	Intermediate Similarity	NPC255641
0.7973	Intermediate Similarity	NPC290954
0.7972	Intermediate Similarity	NPC183709
0.7972	Intermediate Similarity	NPC175838
0.7971	Intermediate Similarity	NPC228843
0.7969	Intermediate Similarity	NPC84999
0.7969	Intermediate Similarity	NPC246760
0.7959	Intermediate Similarity	NPC472841
0.7958	Intermediate Similarity	NPC1268
0.7955	Intermediate Similarity	NPC251259
0.7953	Intermediate Similarity	NPC263753
0.7953	Intermediate Similarity	NPC715
0.7943	Intermediate Similarity	NPC474886
0.7943	Intermediate Similarity	NPC53001
0.7941	Intermediate Similarity	NPC23012
0.7941	Intermediate Similarity	NPC223912
0.7939	Intermediate Similarity	NPC282255
0.7937	Intermediate Similarity	NPC165770
0.7937	Intermediate Similarity	NPC225679
0.7937	Intermediate Similarity	NPC4493
0.7937	Intermediate Similarity	NPC476632
0.7933	Intermediate Similarity	NPC477691
0.7931	Intermediate Similarity	NPC471305
0.7931	Intermediate Similarity	NPC260152
0.7931	Intermediate Similarity	NPC48762
0.7929	Intermediate Similarity	NPC472370
0.7929	Intermediate Similarity	NPC313081
0.7923	Intermediate Similarity	NPC131118
0.7923	Intermediate Similarity	NPC190514
0.792	Intermediate Similarity	NPC58865
0.792	Intermediate Similarity	NPC202647
0.792	Intermediate Similarity	NPC314187
0.7919	Intermediate Similarity	NPC149526
0.7919	Intermediate Similarity	NPC474417
0.7919	Intermediate Similarity	NPC232645
0.7919	Intermediate Similarity	NPC72958
0.7914	Intermediate Similarity	NPC24913
0.7914	Intermediate Similarity	NPC177712
0.7914	Intermediate Similarity	NPC267205
0.791	Intermediate Similarity	NPC270030
0.7907	Intermediate Similarity	NPC203113
0.7905	Intermediate Similarity	NPC10027
0.7905	Intermediate Similarity	NPC65775
0.7905	Intermediate Similarity	NPC247219
0.7902	Intermediate Similarity	NPC71046
0.7902	Intermediate Similarity	NPC265075
0.7899	Intermediate Similarity	NPC149337
0.7899	Intermediate Similarity	NPC471517
0.7899	Intermediate Similarity	NPC473309
0.7899	Intermediate Similarity	NPC474517
0.7899	Intermediate Similarity	NPC471983
0.7899	Intermediate Similarity	NPC72669
0.7895	Intermediate Similarity	NPC77789
0.7895	Intermediate Similarity	NPC176208

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC315769 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	256
0.1-0.2	960
0.2-0.3	1213
0.3-0.4	2601
0.4-0.5	2209
0.5-0.6	1231
0.6-0.7	562
0.7-0.8	127
0.8-0.85	2
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8284	Intermediate Similarity	NPD4625	Phase 3
0.8077	Intermediate Similarity	NPD4626	Approved
0.7847	Intermediate Similarity	NPD3750	Approved
0.776	Intermediate Similarity	NPD2342	Discontinued
0.7746	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7727	Intermediate Similarity	NPD5691	Approved
0.7704	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7698	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7692	Intermediate Similarity	NPD5408	Approved
0.7692	Intermediate Similarity	NPD5405	Approved
0.7692	Intermediate Similarity	NPD5406	Approved
0.7692	Intermediate Similarity	NPD5404	Approved
0.7687	Intermediate Similarity	NPD422	Phase 1
0.7647	Intermediate Similarity	NPD1283	Approved
0.7597	Intermediate Similarity	NPD7635	Approved
0.7594	Intermediate Similarity	NPD1651	Approved
0.7589	Intermediate Similarity	NPD4060	Phase 1
0.758	Intermediate Similarity	NPD6232	Discontinued
0.7574	Intermediate Similarity	NPD4749	Approved
0.7568	Intermediate Similarity	NPD7390	Discontinued
0.7556	Intermediate Similarity	NPD1610	Phase 2
0.7556	Intermediate Similarity	NPD1611	Approved
0.7556	Intermediate Similarity	NPD1201	Approved
0.7554	Intermediate Similarity	NPD4908	Phase 1
0.7547	Intermediate Similarity	NPD7473	Discontinued
0.7519	Intermediate Similarity	NPD1548	Phase 1
0.7517	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD1510	Phase 2
0.75	Intermediate Similarity	NPD4750	Phase 3
0.75	Intermediate Similarity	NPD3748	Approved
0.7483	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7483	Intermediate Similarity	NPD1607	Approved
0.7468	Intermediate Similarity	NPD7819	Suspended
0.7466	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7464	Intermediate Similarity	NPD1470	Approved
0.7448	Intermediate Similarity	NPD6100	Approved
0.7448	Intermediate Similarity	NPD2935	Discontinued
0.7448	Intermediate Similarity	NPD6099	Approved
0.7447	Intermediate Similarity	NPD3764	Approved
0.7434	Intermediate Similarity	NPD3226	Approved
0.7429	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7426	Intermediate Similarity	NPD1281	Approved
0.7424	Intermediate Similarity	NPD709	Approved
0.7415	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.741	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7405	Intermediate Similarity	NPD6959	Discontinued
0.7397	Intermediate Similarity	NPD2346	Discontinued
0.7365	Intermediate Similarity	NPD7003	Approved
0.7361	Intermediate Similarity	NPD4097	Suspended
0.7357	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7343	Intermediate Similarity	NPD1240	Approved
0.7338	Intermediate Similarity	NPD2797	Approved
0.7324	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7324	Intermediate Similarity	NPD3268	Approved
0.7292	Intermediate Similarity	NPD5124	Phase 1
0.7292	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.729	Intermediate Similarity	NPD37	Approved
0.7286	Intermediate Similarity	NPD2798	Approved
0.7285	Intermediate Similarity	NPD2534	Approved
0.7285	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7285	Intermediate Similarity	NPD2532	Approved
0.7285	Intermediate Similarity	NPD2533	Approved
0.728	Intermediate Similarity	NPD1242	Phase 1
0.7279	Intermediate Similarity	NPD3019	Approved
0.7279	Intermediate Similarity	NPD2286	Discontinued
0.7279	Intermediate Similarity	NPD2932	Approved
0.7266	Intermediate Similarity	NPD6696	Suspended
0.7266	Intermediate Similarity	NPD3225	Approved
0.7254	Intermediate Similarity	NPD3027	Phase 3
0.7244	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7239	Intermediate Similarity	NPD5844	Phase 1
0.7234	Intermediate Similarity	NPD2861	Phase 2
0.7222	Intermediate Similarity	NPD1613	Approved
0.7222	Intermediate Similarity	NPD846	Approved
0.7222	Intermediate Similarity	NPD940	Approved
0.7222	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD1511	Approved
0.7212	Intermediate Similarity	NPD6559	Discontinued
0.7208	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD3020	Approved
0.7181	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7177	Intermediate Similarity	NPD288	Approved
0.717	Intermediate Similarity	NPD6234	Discontinued
0.7162	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7162	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7162	Intermediate Similarity	NPD7266	Discontinued
0.7161	Intermediate Similarity	NPD4380	Phase 2
0.7153	Intermediate Similarity	NPD5125	Phase 3
0.7153	Intermediate Similarity	NPD5126	Approved
0.7152	Intermediate Similarity	NPD4965	Approved
0.7152	Intermediate Similarity	NPD4967	Phase 2
0.7152	Intermediate Similarity	NPD4966	Approved
0.7152	Intermediate Similarity	NPD7768	Phase 2
0.7143	Intermediate Similarity	NPD4308	Phase 3
0.7143	Intermediate Similarity	NPD4108	Discontinued
0.7133	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7124	Intermediate Similarity	NPD1512	Approved
0.7114	Intermediate Similarity	NPD1549	Phase 2
0.7107	Intermediate Similarity	NPD3749	Approved
0.7103	Intermediate Similarity	NPD2979	Phase 3
0.7099	Intermediate Similarity	NPD3022	Approved
0.7099	Intermediate Similarity	NPD3021	Approved
0.7097	Intermediate Similarity	NPD2859	Approved
0.7097	Intermediate Similarity	NPD2860	Approved
0.7097	Intermediate Similarity	NPD7458	Discontinued
0.7097	Intermediate Similarity	NPD844	Approved
0.7092	Intermediate Similarity	NPD3266	Approved
0.7092	Intermediate Similarity	NPD3267	Approved
0.7092	Intermediate Similarity	NPD1164	Approved
0.709	Intermediate Similarity	NPD497	Approved
0.7089	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7083	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7071	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.707	Intermediate Similarity	NPD1934	Approved
0.7067	Intermediate Similarity	NPD6674	Discontinued
0.7059	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD3299	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD2799	Discontinued
0.7025	Intermediate Similarity	NPD2801	Approved
0.7016	Intermediate Similarity	NPD2933	Approved
0.7016	Intermediate Similarity	NPD2934	Approved
0.7015	Intermediate Similarity	NPD495	Approved
0.7015	Intermediate Similarity	NPD498	Approved
0.7015	Intermediate Similarity	NPD496	Approved
0.7007	Intermediate Similarity	NPD3091	Approved
0.7006	Intermediate Similarity	NPD7411	Suspended
0.7	Intermediate Similarity	NPD7075	Discontinued
0.7	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD1608	Approved
0.6993	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6993	Remote Similarity	NPD5736	Approved
0.6986	Remote Similarity	NPD4140	Approved
0.6986	Remote Similarity	NPD943	Approved
0.698	Remote Similarity	NPD2438	Suspended
0.698	Remote Similarity	NPD1551	Phase 2
0.698	Remote Similarity	NPD2796	Approved
0.6972	Remote Similarity	NPD3094	Phase 2
0.6966	Remote Similarity	NPD2313	Discontinued
0.6959	Remote Similarity	NPD4978	Clinical (unspecified phase)
0.6951	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.695	Remote Similarity	NPD1669	Approved
0.6948	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.694	Remote Similarity	NPD5535	Approved
0.6933	Remote Similarity	NPD5762	Approved
0.6933	Remote Similarity	NPD5763	Approved
0.6933	Remote Similarity	NPD7229	Phase 3
0.6929	Remote Similarity	NPD3092	Approved
0.6928	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD1653	Approved
0.6923	Remote Similarity	NPD4624	Approved
0.6919	Remote Similarity	NPD8397	Clinical (unspecified phase)
0.6918	Remote Similarity	NPD1465	Phase 2
0.6918	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6912	Remote Similarity	NPD6671	Approved
0.6912	Remote Similarity	NPD6387	Discontinued
0.6908	Remote Similarity	NPD8166	Discontinued
0.6908	Remote Similarity	NPD4628	Phase 3
0.6906	Remote Similarity	NPD4059	Approved
0.6897	Remote Similarity	NPD7095	Approved
0.6892	Remote Similarity	NPD4579	Clinical (unspecified phase)
0.6889	Remote Similarity	NPD5283	Phase 1
0.6889	Remote Similarity	NPD1398	Phase 1
0.6883	Remote Similarity	NPD7040	Clinical (unspecified phase)
0.6883	Remote Similarity	NPD7041	Phase 2
0.6875	Remote Similarity	NPD4288	Approved
0.6875	Remote Similarity	NPD289	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD3018	Phase 2
0.6871	Remote Similarity	NPD7199	Phase 2
0.6871	Remote Similarity	NPD4307	Phase 2
0.6867	Remote Similarity	NPD3751	Discontinued
0.6867	Remote Similarity	NPD2531	Phase 2
0.6867	Remote Similarity	NPD7228	Approved
0.6867	Remote Similarity	NPD3818	Discontinued
0.6861	Remote Similarity	NPD7340	Approved
0.6861	Remote Similarity	NPD7325	Clinical (unspecified phase)
0.6859	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6857	Remote Similarity	NPD3496	Discontinued
0.6857	Remote Similarity	NPD3023	Approved
0.6857	Remote Similarity	NPD3026	Approved
0.6855	Remote Similarity	NPD6801	Discontinued
0.6853	Remote Similarity	NPD4339	Clinical (unspecified phase)
0.6852	Remote Similarity	NPD5709	Phase 3
0.6842	Remote Similarity	NPD1243	Approved
0.6842	Remote Similarity	NPD2800	Approved
0.6839	Remote Similarity	NPD7879	Clinical (unspecified phase)
0.6835	Remote Similarity	NPD3024	Approved
0.6835	Remote Similarity	NPD3025	Approved
0.6835	Remote Similarity	NPD4093	Discontinued
0.6835	Remote Similarity	NPD6599	Discontinued
0.6828	Remote Similarity	NPD1008	Clinical (unspecified phase)
0.6826	Remote Similarity	NPD7054	Approved
0.6825	Remote Similarity	NPD1809	Phase 2
0.6824	Remote Similarity	NPD8312	Approved
0.6824	Remote Similarity	NPD8313	Approved
0.6821	Remote Similarity	NPD2344	Approved
0.6821	Remote Similarity	NPD2029	Clinical (unspecified phase)
0.6812	Remote Similarity	NPD5536	Phase 2
0.681	Remote Similarity	NPD4666	Phase 3
0.6809	Remote Similarity	NPD3705	Approved
0.6803	Remote Similarity	NPD6663	Approved

Structure

CID315769 OpenBabel06191716132D 21 23 0 0 0 0 0 0 0 0999 V2000 -0.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -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 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 -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -1.0000 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 0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 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 2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 10 1 0 0 0 0 4 11 2 0 0 0 0 5 8 2 0 0 0 0 5 12 1 0 0 0 0 6 9 1 0 0 0 0 6 13 2 0 0 0 0 7 9 1 0 0 0 0 7 14 2 0 0 0 0 8 15 1 0 0 0 0 9 17 2 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 12 16 2 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL1242196
ZINC

Physicochemical Properties

Molecular Weight:	284.07
ALogP:	-0.5281
MLogP:	2.67
XLogP:	2.398
# Rotatable Bonds:	5
Polar Surface Area:	86.99
# H-Bond Aceptor:	3
# H-Bond Donor:	3
# Rings:	3
# Heavy Atoms:	21

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