NPASS Natural Product

Natural Product: NPC220418

Natural Product ID:	NPC220418
Common Name:	Sericetin
IUPAC Name:	5,7-dihydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-8-phenylpyrano[3,2-g]chromen-6-one
Synonyms:
Molecular Formula:	C25H24O5
Standard InCHIKey:	BPGVKIFGOXGHPB-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C25H24O5/c1-14(2)10-11-17-23-16(12-13-25(3,4)30-23)19(26)18-20(27)21(28)22(29-24(17)18)15-8-6-5-7-9-15/h5-10,12-13,26,28H,11H2,1-4H3
Canonical SMILES:	CC(=CCc1c2OC(C)(C)C=Cc2c(c2c1oc(c1ccccc1)c(c2=O)O)O)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
NPO16240	Dunbaria longiracemosa	Species	Fabaceae	Eukaryota				UNPD*

Biological Activity

Activity Type	# Activity
Others	2
Potency	7

Activity Type	# Activity
Individual Protein	7
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT53	Individual Protein	4'-phosphopantetheinyl transferase ffp	Bacillus subtilis	Potency	=	89125.1	nM	PubChem BioAssay data set
NPT442	Individual Protein	Ferritin light chain	Equus caballus	Potency	=	25118.9	nM	PubChem BioAssay data set
NPT109	Individual Protein	Cytochrome P450 3A4	Homo sapiens	Potency	=	15848.9	nM	PubChem BioAssay data set
NPT444	Individual Protein	Ubiquitin carboxyl-terminal hydrolase 1	Homo sapiens	Potency		56234.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		15848.9	nM	PubChem BioAssay data set
NPT73	Individual Protein	Solute carrier organic anion transporter family member 1B1	Homo sapiens	Inhibition	=	89.94	%	23571415
NPT72	Individual Protein	Solute carrier organic anion transporter family member 1B3	Homo sapiens	Inhibition	=	98.26	%	23571415
NPT2	Others	Unspecified		Potency		89125.1	nM	PubChem BioAssay data set

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 NPC220418 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	289
0.1-0.2	1283
0.2-0.3	2362
0.3-0.4	6289
0.4-0.5	6955
0.5-0.6	2755
0.6-0.7	4485
0.7-0.8	3516
0.8-0.85	1504
0.85-0.9	982
0.9-0.95	435
0.95-1	34

Similarity Score	Similarity Level	Natural Product ID
0.9929	High Similarity	NPC166757
0.9929	High Similarity	NPC14001
0.9858	High Similarity	NPC244407
0.9718	High Similarity	NPC296869
0.9716	High Similarity	NPC124729
0.9714	High Similarity	NPC293053
0.9714	High Similarity	NPC190637
0.9714	High Similarity	NPC24821
0.9714	High Similarity	NPC212932
0.9714	High Similarity	NPC9117
0.9645	High Similarity	NPC326500
0.9645	High Similarity	NPC273538
0.9645	High Similarity	NPC216538
0.9643	High Similarity	NPC293852
0.9643	High Similarity	NPC200694
0.9643	High Similarity	NPC214236
0.9643	High Similarity	NPC78803
0.9643	High Similarity	NPC62840
0.9643	High Similarity	NPC59739
0.9643	High Similarity	NPC473042
0.9643	High Similarity	NPC299080
0.9643	High Similarity	NPC217083
0.9586	High Similarity	NPC45934
0.9577	High Similarity	NPC306488
0.9577	High Similarity	NPC5820
0.9577	High Similarity	NPC178343
0.9574	High Similarity	NPC219915
0.9514	High Similarity	NPC5173
0.951	High Similarity	NPC104406
0.951	High Similarity	NPC97716
0.951	High Similarity	NPC237635
0.951	High Similarity	NPC79469
0.951	High Similarity	NPC24673
0.951	High Similarity	NPC201731
0.9452	High Similarity	NPC142527
0.9448	High Similarity	NPC61258
0.9444	High Similarity	NPC208303
0.9444	High Similarity	NPC161864
0.9444	High Similarity	NPC266572
0.9444	High Similarity	NPC6511
0.9441	High Similarity	NPC57470
0.9441	High Similarity	NPC329678
0.9437	High Similarity	NPC158874
0.9437	High Similarity	NPC38219
0.9433	High Similarity	NPC156590
0.9433	High Similarity	NPC205006
0.9433	High Similarity	NPC118840
0.9433	High Similarity	NPC147688
0.9433	High Similarity	NPC64908
0.9429	High Similarity	NPC220062
0.9429	High Similarity	NPC53181
0.9429	High Similarity	NPC55018
0.9429	High Similarity	NPC216978
0.9429	High Similarity	NPC301217
0.9429	High Similarity	NPC217186
0.9429	High Similarity	NPC303633
0.9429	High Similarity	NPC96565
0.9388	High Similarity	NPC311579
0.9388	High Similarity	NPC248793
0.9388	High Similarity	NPC180301
0.9388	High Similarity	NPC236756
0.9379	High Similarity	NPC469932
0.9379	High Similarity	NPC269420
0.9379	High Similarity	NPC470461
0.9375	High Similarity	NPC249942
0.9375	High Similarity	NPC473077
0.9375	High Similarity	NPC296998
0.9375	High Similarity	NPC297886
0.9375	High Similarity	NPC140120
0.9375	High Similarity	NPC180477
0.9371	High Similarity	NPC257236
0.9371	High Similarity	NPC319752
0.9371	High Similarity	NPC234629
0.9371	High Similarity	NPC278175
0.9371	High Similarity	NPC311741
0.9366	High Similarity	NPC144499
0.9366	High Similarity	NPC11561
0.9366	High Similarity	NPC226636
0.9362	High Similarity	NPC159275
0.9362	High Similarity	NPC475680
0.9362	High Similarity	NPC270883
0.9362	High Similarity	NPC235239
0.9362	High Similarity	NPC172986
0.9362	High Similarity	NPC305355
0.9362	High Similarity	NPC241100
0.9362	High Similarity	NPC261227
0.9362	High Similarity	NPC150522
0.9357	High Similarity	NPC201395
0.9329	High Similarity	NPC237418
0.9324	High Similarity	NPC217706
0.9324	High Similarity	NPC207809
0.9324	High Similarity	NPC476169
0.9324	High Similarity	NPC304207
0.9324	High Similarity	NPC275575
0.9324	High Similarity	NPC259710
0.9324	High Similarity	NPC48579
0.9315	High Similarity	NPC471984
0.9315	High Similarity	NPC471115
0.9315	High Similarity	NPC188403
0.9315	High Similarity	NPC472633
0.9315	High Similarity	NPC29777
0.931	High Similarity	NPC470460
0.931	High Similarity	NPC469933
0.931	High Similarity	NPC189087
0.931	High Similarity	NPC161191
0.931	High Similarity	NPC321623
0.9306	High Similarity	NPC476088
0.9306	High Similarity	NPC20488
0.9306	High Similarity	NPC111786
0.9306	High Similarity	NPC267375
0.9306	High Similarity	NPC176229
0.9306	High Similarity	NPC470458
0.9306	High Similarity	NPC88964
0.9306	High Similarity	NPC214774
0.9306	High Similarity	NPC470647
0.9306	High Similarity	NPC246948
0.9306	High Similarity	NPC142405
0.9306	High Similarity	NPC301276
0.9306	High Similarity	NPC54577
0.9306	High Similarity	NPC312973
0.9306	High Similarity	NPC475052
0.9306	High Similarity	NPC474161
0.9306	High Similarity	NPC83357
0.9306	High Similarity	NPC67805
0.9306	High Similarity	NPC195621
0.9301	High Similarity	NPC11700
0.9301	High Similarity	NPC18585
0.9301	High Similarity	NPC166138
0.9301	High Similarity	NPC106985
0.9296	High Similarity	NPC14871
0.9296	High Similarity	NPC103362
0.9296	High Similarity	NPC282300
0.9296	High Similarity	NPC110969
0.9296	High Similarity	NPC90582
0.9296	High Similarity	NPC262094
0.9291	High Similarity	NPC78913
0.9291	High Similarity	NPC241838
0.9291	High Similarity	NPC18260
0.9291	High Similarity	NPC143799
0.9291	High Similarity	NPC152042
0.9257	High Similarity	NPC88983
0.9257	High Similarity	NPC170492
0.9252	High Similarity	NPC81474
0.9241	High Similarity	NPC23728
0.9241	High Similarity	NPC283234
0.9241	High Similarity	NPC110303
0.9236	High Similarity	NPC196137
0.9236	High Similarity	NPC1886
0.9236	High Similarity	NPC469953
0.9236	High Similarity	NPC224714
0.9231	High Similarity	NPC204469
0.9231	High Similarity	NPC36181
0.9225	High Similarity	NPC269652
0.9225	High Similarity	NPC146679
0.9225	High Similarity	NPC230285
0.9225	High Similarity	NPC59951
0.9225	High Similarity	NPC281207
0.9225	High Similarity	NPC184536
0.9225	High Similarity	NPC103342
0.9225	High Similarity	NPC103904
0.9225	High Similarity	NPC69769
0.922	High Similarity	NPC272844
0.922	High Similarity	NPC248995
0.922	High Similarity	NPC276905
0.922	High Similarity	NPC131130
0.922	High Similarity	NPC470669
0.922	High Similarity	NPC470668
0.922	High Similarity	NPC17848
0.922	High Similarity	NPC254168
0.9214	High Similarity	NPC256042
0.9214	High Similarity	NPC281917
0.9214	High Similarity	NPC116775
0.9214	High Similarity	NPC216361
0.9214	High Similarity	NPC13408
0.9214	High Similarity	NPC187432
0.92	High Similarity	NPC281137
0.92	High Similarity	NPC210048
0.92	High Similarity	NPC282390
0.9195	High Similarity	NPC111341
0.9195	High Similarity	NPC470681
0.9195	High Similarity	NPC304745
0.9189	High Similarity	NPC157784
0.9189	High Similarity	NPC210597
0.9189	High Similarity	NPC37684
0.9189	High Similarity	NPC63187
0.9184	High Similarity	NPC105136
0.9184	High Similarity	NPC101957
0.9184	High Similarity	NPC151973
0.9184	High Similarity	NPC120105
0.9178	High Similarity	NPC168085
0.9178	High Similarity	NPC160821
0.9178	High Similarity	NPC132592
0.9172	High Similarity	NPC181388
0.9172	High Similarity	NPC472629
0.9172	High Similarity	NPC477955
0.9172	High Similarity	NPC470322
0.9172	High Similarity	NPC154217
0.9167	High Similarity	NPC478086
0.9167	High Similarity	NPC112791
0.9167	High Similarity	NPC188632

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC220418 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	314
0.1-0.2	931
0.2-0.3	1403
0.3-0.4	2506
0.4-0.5	2145
0.5-0.6	1203
0.6-0.7	459
0.7-0.8	148
0.8-0.85	32
0.85-0.9	18
0.9-0.95	1
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9645	High Similarity	NPD4378	Clinical (unspecified phase)
0.9371	High Similarity	NPD7410	Clinical (unspecified phase)
0.88	High Similarity	NPD4380	Phase 2
0.8784	High Similarity	NPD1512	Approved
0.875	High Similarity	NPD1550	Clinical (unspecified phase)
0.875	High Similarity	NPD1552	Clinical (unspecified phase)
0.875	High Similarity	NPD2393	Clinical (unspecified phase)
0.8741	High Similarity	NPD1510	Phase 2
0.8701	High Similarity	NPD7075	Discontinued
0.8693	High Similarity	NPD8443	Clinical (unspecified phase)
0.869	High Similarity	NPD1549	Phase 2
0.8681	High Similarity	NPD2796	Approved
0.8649	High Similarity	NPD1511	Approved
0.8627	High Similarity	NPD7096	Clinical (unspecified phase)
0.8618	High Similarity	NPD7411	Suspended
0.8592	High Similarity	NPD1240	Approved
0.8562	High Similarity	NPD7804	Clinical (unspecified phase)
0.8562	High Similarity	NPD6801	Discontinued
0.8506	High Similarity	NPD2801	Approved
0.8503	High Similarity	NPD2800	Approved
0.8472	Intermediate Similarity	NPD1607	Approved
0.8462	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8446	Intermediate Similarity	NPD3750	Approved
0.8442	Intermediate Similarity	NPD1934	Approved
0.84	Intermediate Similarity	NPD6799	Approved
0.8387	Intermediate Similarity	NPD7819	Suspended
0.8375	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.8375	Intermediate Similarity	NPD6166	Phase 2
0.8375	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.8333	Intermediate Similarity	NPD3817	Phase 2
0.8302	Intermediate Similarity	NPD6959	Discontinued
0.828	Intermediate Similarity	NPD7768	Phase 2
0.828	Intermediate Similarity	NPD3882	Suspended
0.8261	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.8235	Intermediate Similarity	NPD5403	Approved
0.8228	Intermediate Similarity	NPD3749	Approved
0.8194	Intermediate Similarity	NPD6599	Discontinued
0.8194	Intermediate Similarity	NPD2313	Discontinued
0.8133	Intermediate Similarity	NPD1243	Approved
0.8133	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.8121	Intermediate Similarity	NPD6797	Phase 2
0.8108	Intermediate Similarity	NPD3748	Approved
0.8105	Intermediate Similarity	NPD5401	Approved
0.8101	Intermediate Similarity	NPD5402	Approved
0.8095	Intermediate Similarity	NPD6651	Approved
0.8072	Intermediate Similarity	NPD7251	Discontinued
0.8067	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.8054	Intermediate Similarity	NPD2935	Discontinued
0.8024	Intermediate Similarity	NPD7808	Phase 3
0.8012	Intermediate Similarity	NPD5494	Approved
0.8	Intermediate Similarity	NPD7054	Approved
0.8	Intermediate Similarity	NPD920	Approved
0.7987	Intermediate Similarity	NPD2533	Approved
0.7987	Intermediate Similarity	NPD2534	Approved
0.7987	Intermediate Similarity	NPD2532	Approved
0.7987	Intermediate Similarity	NPD2799	Discontinued
0.7952	Intermediate Similarity	NPD7472	Approved
0.7952	Intermediate Similarity	NPD7074	Phase 3
0.7945	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7939	Intermediate Similarity	NPD3818	Discontinued
0.7933	Intermediate Similarity	NPD1551	Phase 2
0.7917	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7917	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7914	Intermediate Similarity	NPD6232	Discontinued
0.7881	Intermediate Similarity	NPD2344	Approved
0.7879	Intermediate Similarity	NPD7473	Discontinued
0.7871	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7857	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7826	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7823	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7815	Intermediate Similarity	NPD6100	Approved
0.7815	Intermediate Similarity	NPD6099	Approved
0.7806	Intermediate Similarity	NPD7390	Discontinued
0.7798	Intermediate Similarity	NPD5953	Discontinued
0.7785	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7785	Intermediate Similarity	NPD3226	Approved
0.7785	Intermediate Similarity	NPD5124	Phase 1
0.7784	Intermediate Similarity	NPD7286	Phase 2
0.7763	Intermediate Similarity	NPD2346	Discontinued
0.7751	Intermediate Similarity	NPD6559	Discontinued
0.7748	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7744	Intermediate Similarity	NPD1247	Approved
0.773	Intermediate Similarity	NPD919	Approved
0.7727	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7724	Intermediate Similarity	NPD1203	Approved
0.7703	Intermediate Similarity	NPD3268	Approved
0.7687	Intermediate Similarity	NPD4908	Phase 1
0.7679	Intermediate Similarity	NPD5844	Phase 1
0.7677	Intermediate Similarity	NPD2309	Approved
0.7671	Intermediate Similarity	NPD2798	Approved
0.767	Intermediate Similarity	NPD4363	Phase 3
0.767	Intermediate Similarity	NPD4360	Phase 2
0.7655	Intermediate Similarity	NPD3225	Approved
0.7632	Intermediate Similarity	NPD7033	Discontinued
0.7632	Intermediate Similarity	NPD4308	Phase 3
0.7613	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7603	Intermediate Similarity	NPD2797	Approved
0.76	Intermediate Similarity	NPD943	Approved
0.7588	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7584	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7569	Intermediate Similarity	NPD422	Phase 1
0.7545	Intermediate Similarity	NPD3926	Phase 2
0.7535	Intermediate Similarity	NPD1548	Phase 1
0.7517	Intermediate Similarity	NPD4625	Phase 3
0.7517	Intermediate Similarity	NPD9717	Approved
0.75	Intermediate Similarity	NPD4628	Phase 3
0.7485	Intermediate Similarity	NPD1465	Phase 2
0.7458	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.745	Intermediate Similarity	NPD6832	Phase 2
0.7448	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7448	Intermediate Similarity	NPD1610	Phase 2
0.7439	Intermediate Similarity	NPD4288	Approved
0.743	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.743	Intermediate Similarity	NPD4361	Phase 2
0.7407	Intermediate Similarity	NPD6585	Discontinued
0.7381	Intermediate Similarity	NPD5711	Approved
0.7381	Intermediate Similarity	NPD5710	Approved
0.7375	Intermediate Similarity	NPD5049	Phase 3
0.7368	Intermediate Similarity	NPD4307	Phase 2
0.7365	Intermediate Similarity	NPD3266	Approved
0.7365	Intermediate Similarity	NPD3267	Approved
0.7362	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7355	Intermediate Similarity	NPD5408	Approved
0.7355	Intermediate Similarity	NPD5404	Approved
0.7355	Intermediate Similarity	NPD5405	Approved
0.7355	Intermediate Similarity	NPD5406	Approved
0.7345	Intermediate Similarity	NPD4287	Approved
0.7333	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7325	Intermediate Similarity	NPD2654	Approved
0.7312	Intermediate Similarity	NPD7584	Approved
0.731	Intermediate Similarity	NPD3751	Discontinued
0.7308	Intermediate Similarity	NPD1471	Phase 3
0.7294	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.7294	Intermediate Similarity	NPD2403	Approved
0.729	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7279	Intermediate Similarity	NPD1608	Approved
0.7278	Intermediate Similarity	NPD3787	Discontinued
0.7267	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7256	Intermediate Similarity	NPD5890	Approved
0.7256	Intermediate Similarity	NPD5889	Approved
0.7239	Intermediate Similarity	NPD7458	Discontinued
0.7237	Intermediate Similarity	NPD1296	Phase 2
0.7237	Intermediate Similarity	NPD3764	Approved
0.7237	Intermediate Similarity	NPD6798	Discontinued
0.7233	Intermediate Similarity	NPD2354	Approved
0.723	Intermediate Similarity	NPD4749	Approved
0.7225	Intermediate Similarity	NPD1729	Discontinued
0.7222	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7211	Intermediate Similarity	NPD1201	Approved
0.7208	Intermediate Similarity	NPD447	Suspended
0.7208	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7205	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7197	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD7229	Phase 3
0.7174	Intermediate Similarity	NPD6782	Approved
0.7174	Intermediate Similarity	NPD6779	Approved
0.7174	Intermediate Similarity	NPD6777	Approved
0.7174	Intermediate Similarity	NPD6778	Approved
0.7174	Intermediate Similarity	NPD6781	Approved
0.7174	Intermediate Similarity	NPD6780	Approved
0.7174	Intermediate Similarity	NPD6776	Approved
0.717	Intermediate Similarity	NPD7003	Approved
0.7162	Intermediate Similarity	NPD3972	Approved
0.7143	Intermediate Similarity	NPD1613	Approved
0.7143	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7135	Intermediate Similarity	NPD8434	Phase 2
0.7134	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7133	Intermediate Similarity	NPD1164	Approved
0.7133	Intermediate Similarity	NPD1470	Approved
0.7126	Intermediate Similarity	NPD2296	Approved
0.7124	Intermediate Similarity	NPD411	Approved
0.711	Intermediate Similarity	NPD5940	Clinical (unspecified phase)
0.7108	Intermediate Similarity	NPD6844	Discontinued
0.7097	Intermediate Similarity	NPD1933	Approved
0.7097	Intermediate Similarity	NPD6355	Discontinued
0.7097	Intermediate Similarity	NPD230	Phase 1
0.7089	Intermediate Similarity	NPD2355	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD2353	Approved
0.7081	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7078	Intermediate Similarity	NPD6233	Phase 2
0.7075	Intermediate Similarity	NPD17	Approved
0.7062	Intermediate Similarity	NPD8312	Approved
0.7062	Intermediate Similarity	NPD8313	Approved
0.7059	Intermediate Similarity	NPD7697	Approved
0.7059	Intermediate Similarity	NPD7435	Discontinued
0.7059	Intermediate Similarity	NPD7698	Approved
0.7059	Intermediate Similarity	NPD7696	Phase 3
0.7055	Intermediate Similarity	NPD9545	Approved
0.7047	Intermediate Similarity	NPD1481	Phase 2
0.7044	Intermediate Similarity	NPD2424	Discontinued
0.7039	Intermediate Similarity	NPD8150	Discontinued
0.7037	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7035	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7034	Intermediate Similarity	NPD9493	Approved
0.7032	Intermediate Similarity	NPD4060	Phase 1
0.7021	Intermediate Similarity	NPD7871	Phase 2
0.7021	Intermediate Similarity	NPD7870	Phase 2
0.7019	Intermediate Similarity	NPD3887	Approved
0.7013	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7007	Intermediate Similarity	NPD4196	Clinical (unspecified phase)

Structure

CID220418 OpenBabel06191716012D 30 33 0 0 0 0 0 0 0 0999 V2000 1.7321 -3.0000 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 -1.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 0.5000 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 1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0000 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 2.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 0.0000 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 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 0.5000 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 2.5981 0.5000 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 1.7321 3.0000 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 5.1962 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.0000 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 14 1 0 0 0 0 2 14 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 8 15 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 25 1 0 0 0 0 15 22 1 0 0 0 0 16 19 2 0 0 0 0 16 23 1 0 0 0 0 17 23 2 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 24 2 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 20 27 2 0 0 0 0 21 22 2 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	4020240
ChEMBL	CHEMBL1495541
ZINC

Physicochemical Properties

Molecular Weight:	404.16
ALogP:	1.3649
MLogP:	3.66
XLogP:	6.381
# Rotatable Bonds:	9
Polar Surface Area:	75.99
# H-Bond Aceptor:	2
# H-Bond Donor:	2
# Rings:	4
# Heavy Atoms:	30

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