NPASS Natural Product

Natural Product: NPC180261

Natural Product ID:	NPC180261
Common Name:	Grifolic Acid
IUPAC Name:	2,4-dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid
Synonyms:	Grifolic Acid
Molecular Formula:	C23H32O4
Standard InCHIKey:	QPIZDZGIXDKCRC-JTCWOHKRSA-N
Standard InCHI:	InChI=1S/C23H32O4/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-20(24)14-18(5)21(22(19)25)23(26)27/h8,10,12,14,24-25H,6-7,9,11,13H2,1-5H3,(H,26,27)/b16-10+,17-12+
Canonical SMILES:	C/C(=CCc1c(O)cc(c(c1O)C(=O)O)C)/CC/C=C(/CCC=C(C)C)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO21029	Euphorbia prostrata	Species	Euphorbiaceae	Eukaryota	UNPD*
NPO29118	Euonymus alatus	Species	Celastraceae	Eukaryota	UNPD*
NPO17403	Peperomia galioides	Species	Piperaceae	Eukaryota	PMID[7769398]
NPO10962	Parsonsia spiralis	Species	Apocynaceae	Eukaryota	UNPD*
NPO4414	Lilium lancifolium	Species	Liliaceae	Eukaryota	UNPD*
NPO8517	Adenia hastata	Species	Passifloraceae	Eukaryota	UNPD*
NPO5198	Menegazzia terebrata	Species	Parmeliaceae	Eukaryota	UNPD*
NPO7187	Polyporus dispansus	Species	Polyporaceae	Eukaryota	UNPD*
NPO14844	Eurotia ceratoides	NA	NA	NA	UNPD*
NPO8897	Streptomyces flavogriseus	Species	Streptomycetaceae	Bacteria	UNPD*
NPO10626	Elsholtzia oldhami	Species	Lamiaceae	Eukaryota	UNPD*
NPO5371	Ainsliaea fragrans	Species	Asteraceae	Eukaryota	UNPD*
NPO6415	Juniperus excelsa	Species	Cupressaceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
Others	1

Activity Type	# Activity
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT580	Organism	Trypanosoma cruzi	Trypanosoma cruzi	Activity	=	0	%	7769398

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 NPC180261 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	235
0.1-0.2	1142
0.2-0.3	2116
0.3-0.4	5176
0.4-0.5	8456
0.5-0.6	3441
0.6-0.7	5668
0.7-0.8	3944
0.8-0.85	485
0.85-0.9	196
0.9-0.95	24
0.95-1	6

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC37299
0.969	High Similarity	NPC290803
0.9615	High Similarity	NPC118919
0.9606	High Similarity	NPC17840
0.9606	High Similarity	NPC247477
0.9535	High Similarity	NPC48036
0.9394	High Similarity	NPC194579
0.9389	High Similarity	NPC278375
0.9365	High Similarity	NPC201728
0.9365	High Similarity	NPC262671
0.9318	High Similarity	NPC158481
0.9318	High Similarity	NPC191976
0.9313	High Similarity	NPC474394
0.9291	High Similarity	NPC473691
0.9213	High Similarity	NPC477454
0.9154	High Similarity	NPC62219
0.9147	High Similarity	NPC41263
0.9124	High Similarity	NPC159721
0.9104	High Similarity	NPC71256
0.9091	High Similarity	NPC267205
0.907	High Similarity	NPC209959
0.9058	High Similarity	NPC42540
0.9058	High Similarity	NPC151607
0.9044	High Similarity	NPC165172
0.9044	High Similarity	NPC99441
0.9023	High Similarity	NPC166480
0.9023	High Similarity	NPC282780
0.9023	High Similarity	NPC474519
0.9008	High Similarity	NPC259942
0.9	High Similarity	NPC125801
0.8986	High Similarity	NPC471731
0.8978	High Similarity	NPC37530
0.8976	High Similarity	NPC91105
0.8971	High Similarity	NPC162939
0.8971	High Similarity	NPC242994
0.8971	High Similarity	NPC138099
0.8963	High Similarity	NPC474771
0.8963	High Similarity	NPC474849
0.8963	High Similarity	NPC70380
0.8963	High Similarity	NPC65837
0.8963	High Similarity	NPC471905
0.8963	High Similarity	NPC149372
0.8963	High Similarity	NPC53001
0.8963	High Similarity	NPC178467
0.8939	High Similarity	NPC219892
0.8939	High Similarity	NPC189823
0.8931	High Similarity	NPC92624
0.8929	High Similarity	NPC225173
0.8929	High Similarity	NPC163846
0.8915	High Similarity	NPC475733
0.8913	High Similarity	NPC474961
0.8913	High Similarity	NPC471733
0.8906	High Similarity	NPC65761
0.8906	High Similarity	NPC472029
0.8905	High Similarity	NPC472601
0.8905	High Similarity	NPC181560
0.8905	High Similarity	NPC168471
0.8905	High Similarity	NPC472600
0.8905	High Similarity	NPC169452
0.8898	High Similarity	NPC215392
0.8897	High Similarity	NPC94248
0.8897	High Similarity	NPC475974
0.8897	High Similarity	NPC212693
0.8897	High Similarity	NPC191835
0.8897	High Similarity	NPC87723
0.8889	High Similarity	NPC254847
0.8889	High Similarity	NPC50455
0.8864	High Similarity	NPC296158
0.8841	High Similarity	NPC472604
0.8841	High Similarity	NPC472603
0.8841	High Similarity	NPC290550
0.8841	High Similarity	NPC472605
0.8824	High Similarity	NPC53414
0.8824	High Similarity	NPC53206
0.8824	High Similarity	NPC471452
0.8819	High Similarity	NPC179092
0.8819	High Similarity	NPC292665
0.8819	High Similarity	NPC159760
0.8819	High Similarity	NPC222876
0.8819	High Similarity	NPC115188
0.8819	High Similarity	NPC244994
0.8819	High Similarity	NPC35856
0.8819	High Similarity	NPC178395
0.8819	High Similarity	NPC26433
0.8819	High Similarity	NPC301987
0.8819	High Similarity	NPC272454
0.8819	High Similarity	NPC149246
0.8815	High Similarity	NPC161632
0.8815	High Similarity	NPC249272
0.8806	High Similarity	NPC153783
0.8803	High Similarity	NPC37139
0.8803	High Similarity	NPC105415
0.8794	High Similarity	NPC473023
0.8779	High Similarity	NPC116513
0.8777	High Similarity	NPC193555
0.8777	High Similarity	NPC135524
0.8759	High Similarity	NPC177307
0.8759	High Similarity	NPC478200
0.8759	High Similarity	NPC33144
0.8759	High Similarity	NPC472403
0.8759	High Similarity	NPC472602
0.8759	High Similarity	NPC9121
0.875	High Similarity	NPC223836
0.8741	High Similarity	NPC12070
0.8741	High Similarity	NPC270899
0.8741	High Similarity	NPC233267
0.8741	High Similarity	NPC175943
0.8741	High Similarity	NPC291049
0.8732	High Similarity	NPC471734
0.8731	High Similarity	NPC175738
0.8714	High Similarity	NPC451542
0.8714	High Similarity	NPC293545
0.8714	High Similarity	NPC472610
0.8714	High Similarity	NPC174905
0.8714	High Similarity	NPC313047
0.8714	High Similarity	NPC474203
0.8714	High Similarity	NPC295712
0.8705	High Similarity	NPC305845
0.8705	High Similarity	NPC53649
0.8705	High Similarity	NPC1704
0.8705	High Similarity	NPC246638
0.8705	High Similarity	NPC478217
0.8705	High Similarity	NPC313123
0.8705	High Similarity	NPC67650
0.8705	High Similarity	NPC204045
0.8702	High Similarity	NPC267846
0.8696	High Similarity	NPC143438
0.8696	High Similarity	NPC88269
0.8696	High Similarity	NPC105456
0.8696	High Similarity	NPC474655
0.8696	High Similarity	NPC275356
0.8696	High Similarity	NPC139634
0.8682	High Similarity	NPC309765
0.8681	High Similarity	NPC150928
0.8681	High Similarity	NPC158866
0.8676	High Similarity	NPC180905
0.8676	High Similarity	NPC182496
0.8672	High Similarity	NPC146642
0.8667	High Similarity	NPC114183
0.8662	High Similarity	NPC471735
0.8661	High Similarity	NPC233165
0.8661	High Similarity	NPC184579
0.8652	High Similarity	NPC227841
0.8647	High Similarity	NPC474998
0.8647	High Similarity	NPC109123
0.8643	High Similarity	NPC250755
0.8636	High Similarity	NPC72158
0.8636	High Similarity	NPC103356
0.8636	High Similarity	NPC30501
0.8636	High Similarity	NPC23126
0.8636	High Similarity	NPC169250
0.8636	High Similarity	NPC190043
0.8636	High Similarity	NPC266689
0.8636	High Similarity	NPC162612
0.8636	High Similarity	NPC105157
0.8636	High Similarity	NPC100067
0.8636	High Similarity	NPC98254
0.8633	High Similarity	NPC158472
0.863	High Similarity	NPC472799
0.8626	High Similarity	NPC167055
0.8626	High Similarity	NPC240744
0.8623	High Similarity	NPC4214
0.8621	High Similarity	NPC133856
0.8613	High Similarity	NPC235115
0.8613	High Similarity	NPC472599
0.8605	High Similarity	NPC303737
0.8605	High Similarity	NPC226275
0.8603	High Similarity	NPC470984
0.8603	High Similarity	NPC44437
0.8603	High Similarity	NPC475645
0.8601	High Similarity	NPC53362
0.8601	High Similarity	NPC166583
0.8594	High Similarity	NPC294037
0.8592	High Similarity	NPC29577
0.8592	High Similarity	NPC12402
0.8592	High Similarity	NPC34482
0.8592	High Similarity	NPC75694
0.8583	High Similarity	NPC40649
0.8583	High Similarity	NPC209486
0.8582	High Similarity	NPC478202
0.8582	High Similarity	NPC51106
0.8582	High Similarity	NPC84266
0.8582	High Similarity	NPC472006
0.8582	High Similarity	NPC354984
0.8571	High Similarity	NPC158634
0.8571	High Similarity	NPC478201
0.8571	High Similarity	NPC21305
0.8571	High Similarity	NPC473017
0.8571	High Similarity	NPC472035
0.8571	High Similarity	NPC187843
0.8571	High Similarity	NPC24869
0.8571	High Similarity	NPC475730
0.8571	High Similarity	NPC110810
0.8571	High Similarity	NPC221777
0.8562	High Similarity	NPC217447
0.8562	High Similarity	NPC273483
0.8561	High Similarity	NPC62952
0.8561	High Similarity	NPC190457
0.8561	High Similarity	NPC32360
0.8561	High Similarity	NPC472903

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC180261 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	258
0.1-0.2	923
0.2-0.3	1483
0.3-0.4	2615
0.4-0.5	2216
0.5-0.6	1127
0.6-0.7	421
0.7-0.8	102
0.8-0.85	7
0.85-0.9	9
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8889	High Similarity	NPD1509	Clinical (unspecified phase)
0.8652	High Similarity	NPD7390	Discontinued
0.8592	High Similarity	NPD2534	Approved
0.8592	High Similarity	NPD2533	Approved
0.8592	High Similarity	NPD2532	Approved
0.8551	High Similarity	NPD5405	Approved
0.8551	High Similarity	NPD5404	Approved
0.8551	High Similarity	NPD5406	Approved
0.8551	High Similarity	NPD5408	Approved
0.8429	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.8133	Intermediate Similarity	NPD7819	Suspended
0.8117	Intermediate Similarity	NPD6232	Discontinued
0.8085	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.8077	Intermediate Similarity	NPD7473	Discontinued
0.8058	Intermediate Similarity	NPD943	Approved
0.8045	Intermediate Similarity	NPD1201	Approved
0.7941	Intermediate Similarity	NPD1164	Approved
0.7941	Intermediate Similarity	NPD1470	Approved
0.7902	Intermediate Similarity	NPD2935	Discontinued
0.7852	Intermediate Similarity	NPD9269	Phase 2
0.782	Intermediate Similarity	NPD9268	Approved
0.7817	Intermediate Similarity	NPD1607	Approved
0.7771	Intermediate Similarity	NPD5710	Approved
0.7771	Intermediate Similarity	NPD5711	Approved
0.7718	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7707	Intermediate Similarity	NPD6959	Discontinued
0.7687	Intermediate Similarity	NPD4196	Clinical (unspecified phase)
0.7687	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7676	Intermediate Similarity	NPD1240	Approved
0.7656	Intermediate Similarity	NPD74	Approved
0.7656	Intermediate Similarity	NPD9266	Approved
0.7628	Intermediate Similarity	NPD7075	Discontinued
0.7622	Intermediate Similarity	NPD230	Phase 1
0.76	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7597	Intermediate Similarity	NPD4750	Phase 3
0.7594	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7594	Intermediate Similarity	NPD9493	Approved
0.7586	Intermediate Similarity	NPD1510	Phase 2
0.7578	Intermediate Similarity	NPD9265	Clinical (unspecified phase)
0.7578	Intermediate Similarity	NPD9267	Approved
0.7578	Intermediate Similarity	NPD9264	Approved
0.7578	Intermediate Similarity	NPD9263	Approved
0.7569	Intermediate Similarity	NPD6651	Approved
0.7568	Intermediate Similarity	NPD3750	Approved
0.7564	Intermediate Similarity	NPD7768	Phase 2
0.7548	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7548	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7532	Intermediate Similarity	NPD7411	Suspended
0.7516	Intermediate Similarity	NPD3226	Approved
0.75	Intermediate Similarity	NPD4626	Approved
0.75	Intermediate Similarity	NPD2800	Approved
0.75	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7483	Intermediate Similarity	NPD2346	Discontinued
0.7483	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7468	Intermediate Similarity	NPD6599	Discontinued
0.7423	Intermediate Similarity	NPD5844	Phase 1
0.7415	Intermediate Similarity	NPD1551	Phase 2
0.7415	Intermediate Similarity	NPD6100	Approved
0.7415	Intermediate Similarity	NPD6099	Approved
0.7405	Intermediate Similarity	NPD3749	Approved
0.7383	Intermediate Similarity	NPD1243	Approved
0.7365	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7365	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7355	Intermediate Similarity	NPD4380	Phase 2
0.7353	Intermediate Similarity	NPD9545	Approved
0.7347	Intermediate Similarity	NPD2799	Discontinued
0.7346	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7323	Intermediate Similarity	NPD940	Approved
0.7323	Intermediate Similarity	NPD846	Approved
0.7315	Intermediate Similarity	NPD1549	Phase 2
0.7313	Intermediate Similarity	NPD9281	Approved
0.7303	Intermediate Similarity	NPD6799	Approved
0.7303	Intermediate Similarity	NPD1511	Approved
0.7292	Intermediate Similarity	NPD411	Approved
0.7292	Intermediate Similarity	NPD3764	Approved
0.7292	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7266	Intermediate Similarity	NPD9261	Approved
0.7261	Intermediate Similarity	NPD6801	Discontinued
0.7261	Intermediate Similarity	NPD1934	Approved
0.7246	Intermediate Similarity	NPD3019	Approved
0.7246	Intermediate Similarity	NPD2932	Approved
0.7237	Intermediate Similarity	NPD3300	Phase 2
0.7234	Intermediate Similarity	NPD1283	Approved
0.723	Intermediate Similarity	NPD3748	Approved
0.7219	Intermediate Similarity	NPD7003	Approved
0.7215	Intermediate Similarity	NPD2801	Approved
0.7214	Intermediate Similarity	NPD9717	Approved
0.7212	Intermediate Similarity	NPD6020	Phase 2
0.7208	Intermediate Similarity	NPD1512	Approved
0.7185	Intermediate Similarity	NPD5951	Approved
0.7181	Intermediate Similarity	NPD2796	Approved
0.7174	Intermediate Similarity	NPD5691	Approved
0.717	Intermediate Similarity	NPD3817	Phase 2
0.7152	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD3882	Suspended
0.7123	Intermediate Similarity	NPD6663	Approved
0.7121	Intermediate Similarity	NPD6831	Clinical (unspecified phase)
0.711	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7107	Intermediate Similarity	NPD1465	Phase 2
0.7105	Intermediate Similarity	NPD4628	Phase 3
0.7083	Intermediate Similarity	NPD5736	Approved
0.7083	Intermediate Similarity	NPD6559	Discontinued
0.7076	Intermediate Similarity	NPD8150	Discontinued
0.707	Intermediate Similarity	NPD7458	Discontinued
0.707	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD8438	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD1203	Approved
0.7051	Intermediate Similarity	NPD920	Approved
0.7037	Intermediate Similarity	NPD7635	Approved
0.7027	Intermediate Similarity	NPD447	Suspended
0.7024	Intermediate Similarity	NPD5953	Discontinued
0.7021	Intermediate Similarity	NPD1281	Approved
0.7013	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD7286	Phase 2
0.7	Intermediate Similarity	NPD3299	Clinical (unspecified phase)
0.6986	Remote Similarity	NPD4625	Phase 3
0.6975	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6964	Remote Similarity	NPD7074	Phase 3
0.6939	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.6939	Remote Similarity	NPD2313	Discontinued
0.6937	Remote Similarity	NPD37	Approved
0.6933	Remote Similarity	NPD919	Approved
0.6929	Remote Similarity	NPD844	Approved
0.6928	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6928	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6928	Remote Similarity	NPD6166	Phase 2
0.6928	Remote Similarity	NPD2654	Approved
0.6923	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6918	Remote Similarity	NPD6832	Phase 2
0.6909	Remote Similarity	NPD7229	Phase 3
0.6908	Remote Similarity	NPD2344	Approved
0.6905	Remote Similarity	NPD7054	Approved
0.6901	Remote Similarity	NPD422	Phase 1
0.6897	Remote Similarity	NPD2798	Approved
0.6897	Remote Similarity	NPD6917	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD8397	Clinical (unspecified phase)
0.689	Remote Similarity	NPD5494	Approved
0.6887	Remote Similarity	NPD4308	Phase 3
0.6883	Remote Similarity	NPD3400	Discontinued
0.6883	Remote Similarity	NPD8166	Discontinued
0.6879	Remote Similarity	NPD7163	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD288	Approved
0.6864	Remote Similarity	NPD7472	Approved
0.6853	Remote Similarity	NPD1608	Approved
0.6846	Remote Similarity	NPD1242	Phase 1
0.6846	Remote Similarity	NPD2979	Phase 3
0.6845	Remote Similarity	NPD3818	Discontinued
0.6835	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6831	Remote Similarity	NPD3023	Approved
0.6831	Remote Similarity	NPD3026	Approved
0.6829	Remote Similarity	NPD6234	Discontinued
0.6828	Remote Similarity	NPD2797	Approved
0.6824	Remote Similarity	NPD3268	Approved
0.6815	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6811	Remote Similarity	NPD8151	Discontinued
0.681	Remote Similarity	NPD4966	Approved
0.681	Remote Similarity	NPD4965	Approved
0.681	Remote Similarity	NPD4967	Phase 2
0.6809	Remote Similarity	NPD3025	Approved
0.6809	Remote Similarity	NPD1651	Approved
0.6809	Remote Similarity	NPD3024	Approved
0.6806	Remote Similarity	NPD4749	Approved
0.6802	Remote Similarity	NPD8313	Approved
0.6802	Remote Similarity	NPD8312	Approved
0.6797	Remote Similarity	NPD1809	Phase 2
0.6791	Remote Similarity	NPD2342	Discontinued
0.6784	Remote Similarity	NPD7251	Discontinued
0.6779	Remote Similarity	NPD520	Approved
0.6748	Remote Similarity	NPD4288	Approved
0.6748	Remote Similarity	NPD5402	Approved
0.6746	Remote Similarity	NPD7177	Discontinued
0.6744	Remote Similarity	NPD4419	Clinical (unspecified phase)
0.6744	Remote Similarity	NPD4338	Clinical (unspecified phase)
0.6744	Remote Similarity	NPD7808	Phase 3
0.6738	Remote Similarity	NPD1759	Phase 1
0.6736	Remote Similarity	NPD3972	Approved
0.6733	Remote Similarity	NPD4060	Phase 1
0.6732	Remote Similarity	NPD2438	Suspended
0.6731	Remote Similarity	NPD2309	Approved
0.673	Remote Similarity	NPD5403	Approved
0.6725	Remote Similarity	NPD6797	Phase 2
0.6721	Remote Similarity	NPD7435	Discontinued
0.6711	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6689	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6685	Remote Similarity	NPD8320	Phase 1
0.6685	Remote Similarity	NPD8319	Approved
0.6667	Remote Similarity	NPD6273	Approved
0.6667	Remote Similarity	NPD1758	Phase 1
0.6648	Remote Similarity	NPD6534	Approved
0.6648	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.6648	Remote Similarity	NPD6535	Approved
0.6647	Remote Similarity	NPD7228	Approved
0.6647	Remote Similarity	NPD7199	Phase 2
0.6646	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6644	Remote Similarity	NPD6696	Suspended
0.6644	Remote Similarity	NPD5952	Clinical (unspecified phase)
0.6643	Remote Similarity	NPD1778	Approved

Structure

CID180261 OpenBabel06191715552D 27 27 0 0 0 0 0 0 0 0999 V2000 -0.0000 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 4.0000 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 1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 6.0000 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 -1.7321 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 4.0000 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 -1.7321 1.0000 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 0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 4.5000 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 0.8660 -1.5000 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 -0.8660 -1.5000 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 -0.0000 -0.0000 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 -1.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 4 17 1 0 0 0 0 5 18 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 15 2 0 0 0 0 9 16 1 0 0 0 0 10 16 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 19 1 0 0 0 0 14 18 2 0 0 0 0 14 20 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	9976563
ChEMBL	CHEMBL513978
ZINC

Physicochemical Properties

Molecular Weight:	372.23
ALogP:	3.8234
MLogP:	3.55
XLogP:	6.527
# Rotatable Bonds:	17
Polar Surface Area:	77.76
# H-Bond Aceptor:	2
# H-Bond Donor:	3
# Rings:	1
# Heavy Atoms:	27

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