NPASS Natural Product

Natural Product: NPC476159

Natural Product ID:	NPC476159
Common Name:	n.a.
IUPAC Name:
Synonyms:	7-Methoxyisomorellinol
Molecular Formula:	C34H40O8
Standard InCHIKey:	FJWBQUVKMGEVOU-DHVIFQJVSA-N
Standard InCHI:	InChI=1S/C34H40O8/c1-18(2)9-10-21-27-20(12-13-30(4,5)40-27)25(36)24-26(37)22-15-32(39-8)16-23-31(6,7)42-33(29(32)38,14-11-19(3)17-35)34(22,23)41-28(21)24/h9,11-13,15,23,35-36H,10,14,16-17H2,1-8H3/b19-11-/t23-,32+,33-,34+/m0/s1
Canonical SMILES:	OC/C(=CC[C@]12OC([C@H]3[C@]42Oc2c(C(=O)C4=C[C@@](C1=O)(OC)C3)c(O)c1c(c2CC=C(C)C)OC(C=C1)(C)C)(C)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
NPO13310	Garcinia hanburyi	Species	Clusiaceae	Eukaryota	resin			PMID[19072548]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Cell Line	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT165	Cell Line	HeLa	Homo sapiens	IC50	=	1210	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 NPC476159 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	328
0.1-0.2	1178
0.2-0.3	2256
0.3-0.4	4960
0.4-0.5	7322
0.5-0.6	4608
0.6-0.7	4418
0.7-0.8	4842
0.8-0.85	902
0.85-0.9	35
0.9-0.95	31
0.95-1	9

Similarity Score	Similarity Level	Natural Product ID
0.9812	High Similarity	NPC223413
0.9693	High Similarity	NPC476229
0.9625	High Similarity	NPC131578
0.9573	High Similarity	NPC476152
0.9518	High Similarity	NPC476199
0.9518	High Similarity	NPC476210
0.9509	High Similarity	NPC47634
0.9509	High Similarity	NPC75141
0.9509	High Similarity	NPC55422
0.9458	High Similarity	NPC98943
0.9455	High Similarity	NPC476139
0.9437	High Similarity	NPC286422
0.9394	High Similarity	NPC169018
0.939	High Similarity	NPC40089
0.939	High Similarity	NPC476146
0.939	High Similarity	NPC63514
0.939	High Similarity	NPC158329
0.9387	High Similarity	NPC62444
0.9387	High Similarity	NPC476255
0.9337	High Similarity	NPC476311
0.9333	High Similarity	NPC476196
0.9325	High Similarity	NPC189689
0.9286	High Similarity	NPC233978
0.9273	High Similarity	NPC476216
0.9264	High Similarity	NPC476931
0.9231	High Similarity	NPC473607
0.9212	High Similarity	NPC193222
0.9202	High Similarity	NPC94796
0.9167	High Similarity	NPC475398
0.9167	High Similarity	NPC162248
0.9157	High Similarity	NPC41598
0.9152	High Similarity	NPC476056
0.9118	High Similarity	NPC473729
0.9112	High Similarity	NPC227275
0.9107	High Similarity	NPC475080
0.908	High Similarity	NPC43490
0.908	High Similarity	NPC475107
0.9048	High Similarity	NPC118128
0.9042	High Similarity	NPC102810
0.9	High Similarity	NPC476162
0.8909	High Similarity	NPC476929
0.8882	High Similarity	NPC469393
0.8824	High Similarity	NPC477529
0.8817	High Similarity	NPC54903
0.8817	High Similarity	NPC286074
0.881	High Similarity	NPC475109
0.8788	High Similarity	NPC125969
0.8743	High Similarity	NPC475106
0.8698	High Similarity	NPC469394
0.8698	High Similarity	NPC120857
0.8698	High Similarity	NPC17274
0.8698	High Similarity	NPC85047
0.869	High Similarity	NPC469395
0.8671	High Similarity	NPC469345
0.8639	High Similarity	NPC473908
0.8614	High Similarity	NPC476930
0.8613	High Similarity	NPC86809
0.8613	High Similarity	NPC232412
0.8613	High Similarity	NPC98667
0.8596	High Similarity	NPC20734
0.8571	High Similarity	NPC103816
0.8571	High Similarity	NPC61382
0.8571	High Similarity	NPC472346
0.8555	High Similarity	NPC154986
0.8555	High Similarity	NPC73899
0.8555	High Similarity	NPC17105
0.8555	High Similarity	NPC147363
0.8555	High Similarity	NPC474276
0.8554	High Similarity	NPC164427
0.8547	High Similarity	NPC251144
0.8547	High Similarity	NPC193698
0.8547	High Similarity	NPC241387
0.8547	High Similarity	NPC313717
0.8547	High Similarity	NPC315306
0.8506	High Similarity	NPC294149
0.8497	Intermediate Similarity	NPC121333
0.8494	Intermediate Similarity	NPC476169
0.8488	Intermediate Similarity	NPC297195
0.8488	Intermediate Similarity	NPC207574
0.8488	Intermediate Similarity	NPC291795
0.8485	Intermediate Similarity	NPC288534
0.8476	Intermediate Similarity	NPC476509
0.8466	Intermediate Similarity	NPC244903
0.8457	Intermediate Similarity	NPC82534
0.8448	Intermediate Similarity	NPC471969
0.8443	Intermediate Similarity	NPC215917
0.8443	Intermediate Similarity	NPC10754
0.8443	Intermediate Similarity	NPC20530
0.8434	Intermediate Similarity	NPC248793
0.8434	Intermediate Similarity	NPC311579
0.8434	Intermediate Similarity	NPC180301
0.8434	Intermediate Similarity	NPC236756
0.8434	Intermediate Similarity	NPC100134
0.8434	Intermediate Similarity	NPC209760
0.843	Intermediate Similarity	NPC292233
0.8427	Intermediate Similarity	NPC106700
0.8421	Intermediate Similarity	NPC314653
0.8421	Intermediate Similarity	NPC316262
0.8418	Intermediate Similarity	NPC208069
0.8412	Intermediate Similarity	NPC219861
0.8412	Intermediate Similarity	NPC472402
0.8409	Intermediate Similarity	NPC5671
0.8409	Intermediate Similarity	NPC477683
0.8409	Intermediate Similarity	NPC477682
0.8402	Intermediate Similarity	NPC172687
0.84	Intermediate Similarity	NPC245975
0.8393	Intermediate Similarity	NPC281137
0.8393	Intermediate Similarity	NPC282390
0.8391	Intermediate Similarity	NPC472620
0.8383	Intermediate Similarity	NPC304207
0.8383	Intermediate Similarity	NPC207809
0.8383	Intermediate Similarity	NPC48579
0.8383	Intermediate Similarity	NPC304745
0.8383	Intermediate Similarity	NPC111341
0.8383	Intermediate Similarity	NPC259710
0.8383	Intermediate Similarity	NPC217706
0.8382	Intermediate Similarity	NPC242395
0.8382	Intermediate Similarity	NPC152477
0.8382	Intermediate Similarity	NPC177480
0.838	Intermediate Similarity	NPC197972
0.8373	Intermediate Similarity	NPC210597
0.8373	Intermediate Similarity	NPC275878
0.8372	Intermediate Similarity	NPC128293
0.8372	Intermediate Similarity	NPC470462
0.8372	Intermediate Similarity	NPC120593
0.8372	Intermediate Similarity	NPC251336
0.8372	Intermediate Similarity	NPC82330
0.8372	Intermediate Similarity	NPC178173
0.8371	Intermediate Similarity	NPC475148
0.8371	Intermediate Similarity	NPC8927
0.8371	Intermediate Similarity	NPC475656
0.8364	Intermediate Similarity	NPC471115
0.8364	Intermediate Similarity	NPC29777
0.8363	Intermediate Similarity	NPC473009
0.8363	Intermediate Similarity	NPC472581
0.8353	Intermediate Similarity	NPC3629
0.8343	Intermediate Similarity	NPC311574
0.8343	Intermediate Similarity	NPC264932
0.8343	Intermediate Similarity	NPC470942
0.8333	Intermediate Similarity	NPC474386
0.8333	Intermediate Similarity	NPC5990
0.8333	Intermediate Similarity	NPC470354
0.8333	Intermediate Similarity	NPC279209
0.8333	Intermediate Similarity	NPC74559
0.8333	Intermediate Similarity	NPC470352
0.8333	Intermediate Similarity	NPC18886
0.8333	Intermediate Similarity	NPC294863
0.8333	Intermediate Similarity	NPC146636
0.8333	Intermediate Similarity	NPC101107
0.8333	Intermediate Similarity	NPC282636
0.8333	Intermediate Similarity	NPC102277
0.8333	Intermediate Similarity	NPC103307
0.8333	Intermediate Similarity	NPC174486
0.8324	Intermediate Similarity	NPC470456
0.8324	Intermediate Similarity	NPC158761
0.8324	Intermediate Similarity	NPC150131
0.8324	Intermediate Similarity	NPC8965
0.8324	Intermediate Similarity	NPC478060
0.8324	Intermediate Similarity	NPC471975
0.8324	Intermediate Similarity	NPC225419
0.8324	Intermediate Similarity	NPC470377
0.8324	Intermediate Similarity	NPC470374
0.8324	Intermediate Similarity	NPC476459
0.8324	Intermediate Similarity	NPC45760
0.8324	Intermediate Similarity	NPC478059
0.8324	Intermediate Similarity	NPC126204
0.8324	Intermediate Similarity	NPC260266
0.8323	Intermediate Similarity	NPC7989
0.8323	Intermediate Similarity	NPC293286
0.8323	Intermediate Similarity	NPC223701
0.8323	Intermediate Similarity	NPC469405
0.8323	Intermediate Similarity	NPC88983
0.8323	Intermediate Similarity	NPC472583
0.8323	Intermediate Similarity	NPC268193
0.8315	Intermediate Similarity	NPC6709
0.8314	Intermediate Similarity	NPC473010
0.8314	Intermediate Similarity	NPC472049
0.8313	Intermediate Similarity	NPC471229
0.8313	Intermediate Similarity	NPC207346
0.8313	Intermediate Similarity	NPC46564
0.8306	Intermediate Similarity	NPC314020
0.8304	Intermediate Similarity	NPC474162
0.8304	Intermediate Similarity	NPC473012
0.8304	Intermediate Similarity	NPC229632
0.8304	Intermediate Similarity	NPC474150
0.8303	Intermediate Similarity	NPC470461
0.8303	Intermediate Similarity	NPC139966
0.8303	Intermediate Similarity	NPC307052
0.8295	Intermediate Similarity	NPC19056
0.8295	Intermediate Similarity	NPC470583
0.8295	Intermediate Similarity	NPC289244
0.8294	Intermediate Similarity	NPC471976
0.8294	Intermediate Similarity	NPC306978
0.8294	Intermediate Similarity	NPC121647
0.8294	Intermediate Similarity	NPC195136
0.8294	Intermediate Similarity	NPC472618
0.8294	Intermediate Similarity	NPC243701
0.8294	Intermediate Similarity	NPC313368
0.8286	Intermediate Similarity	NPC475825
0.8286	Intermediate Similarity	NPC223375

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC476159 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	334
0.1-0.2	902
0.2-0.3	1841
0.3-0.4	2693
0.4-0.5	1975
0.5-0.6	933
0.6-0.7	338
0.7-0.8	133
0.8-0.85	12
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8276	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.8274	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.8176	Intermediate Similarity	NPD7075	Discontinued
0.8144	Intermediate Similarity	NPD4380	Phase 2
0.8081	Intermediate Similarity	NPD5494	Approved
0.8061	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.8012	Intermediate Similarity	NPD3882	Suspended
0.8	Intermediate Similarity	NPD6166	Phase 2
0.8	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD7819	Suspended
0.8	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7989	Intermediate Similarity	NPD7808	Phase 3
0.7975	Intermediate Similarity	NPD2800	Approved
0.7952	Intermediate Similarity	NPD2532	Approved
0.7952	Intermediate Similarity	NPD2533	Approved
0.7952	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7952	Intermediate Similarity	NPD2534	Approved
0.7941	Intermediate Similarity	NPD6801	Discontinued
0.7935	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7933	Intermediate Similarity	NPD7251	Discontinued
0.7931	Intermediate Similarity	NPD1247	Approved
0.7912	Intermediate Similarity	NPD8434	Phase 2
0.7898	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7895	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7882	Intermediate Similarity	NPD7411	Suspended
0.7877	Intermediate Similarity	NPD6797	Phase 2
0.7861	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7829	Intermediate Similarity	NPD6959	Discontinued
0.7814	Intermediate Similarity	NPD8150	Discontinued
0.7809	Intermediate Similarity	NPD3818	Discontinued
0.7791	Intermediate Similarity	NPD2801	Approved
0.779	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7765	Intermediate Similarity	NPD7054	Approved
0.7753	Intermediate Similarity	NPD7473	Discontinued
0.7746	Intermediate Similarity	NPD5402	Approved
0.7746	Intermediate Similarity	NPD3817	Phase 2
0.7733	Intermediate Similarity	NPD1934	Approved
0.7722	Intermediate Similarity	NPD7074	Phase 3
0.7722	Intermediate Similarity	NPD7472	Approved
0.7667	Intermediate Similarity	NPD5844	Phase 1
0.7637	Intermediate Similarity	NPD6559	Discontinued
0.7616	Intermediate Similarity	NPD6599	Discontinued
0.7614	Intermediate Similarity	NPD5537	Clinical (unspecified phase)
0.7611	Intermediate Similarity	NPD3751	Discontinued
0.7607	Intermediate Similarity	NPD6651	Approved
0.759	Intermediate Similarity	NPD1549	Phase 2
0.7588	Intermediate Similarity	NPD1512	Approved
0.7584	Intermediate Similarity	NPD6232	Discontinued
0.7582	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7574	Intermediate Similarity	NPD6799	Approved
0.7568	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7557	Intermediate Similarity	NPD3749	Approved
0.7544	Intermediate Similarity	NPD5403	Approved
0.753	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.753	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7515	Intermediate Similarity	NPD1510	Phase 2
0.7514	Intermediate Similarity	NPD919	Approved
0.75	Intermediate Similarity	NPD2403	Approved
0.75	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD7768	Phase 2
0.7486	Intermediate Similarity	NPD5711	Approved
0.7486	Intermediate Similarity	NPD5710	Approved
0.7471	Intermediate Similarity	NPD1511	Approved
0.747	Intermediate Similarity	NPD2796	Approved
0.7459	Intermediate Similarity	NPD8312	Approved
0.7459	Intermediate Similarity	NPD8313	Approved
0.7447	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7436	Intermediate Similarity	NPD7435	Discontinued
0.7436	Intermediate Similarity	NPD7698	Approved
0.7436	Intermediate Similarity	NPD7696	Phase 3
0.7436	Intermediate Similarity	NPD7697	Approved
0.7427	Intermediate Similarity	NPD5401	Approved
0.7398	Intermediate Similarity	NPD7870	Phase 2
0.7398	Intermediate Similarity	NPD7871	Phase 2
0.7396	Intermediate Similarity	NPD3750	Approved
0.7389	Intermediate Similarity	NPD3787	Discontinued
0.7381	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7371	Intermediate Similarity	NPD6782	Approved
0.7371	Intermediate Similarity	NPD6776	Approved
0.7371	Intermediate Similarity	NPD6778	Approved
0.7371	Intermediate Similarity	NPD6779	Approved
0.7371	Intermediate Similarity	NPD6781	Approved
0.7371	Intermediate Similarity	NPD6777	Approved
0.7371	Intermediate Similarity	NPD6780	Approved
0.7356	Intermediate Similarity	NPD3226	Approved
0.7348	Intermediate Similarity	NPD3926	Phase 2
0.7341	Intermediate Similarity	NPD920	Approved
0.7312	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7306	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.73	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.73	Intermediate Similarity	NPD7874	Approved
0.7294	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7289	Intermediate Similarity	NPD1607	Approved
0.7286	Intermediate Similarity	NPD7701	Phase 2
0.7282	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD1240	Approved
0.7268	Intermediate Similarity	NPD7700	Phase 2
0.7268	Intermediate Similarity	NPD7699	Phase 2
0.7264	Intermediate Similarity	NPD7801	Approved
0.7262	Intermediate Similarity	NPD6100	Approved
0.7262	Intermediate Similarity	NPD6099	Approved
0.7235	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7229	Intermediate Similarity	NPD5124	Phase 1
0.7229	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7225	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7202	Intermediate Similarity	NPD6534	Approved
0.7202	Intermediate Similarity	NPD6535	Approved
0.7198	Intermediate Similarity	NPD8366	Approved
0.7198	Intermediate Similarity	NPD7907	Approved
0.7191	Intermediate Similarity	NPD1465	Phase 2
0.7164	Intermediate Similarity	NPD8151	Discontinued
0.7136	Intermediate Similarity	NPD8319	Approved
0.7136	Intermediate Similarity	NPD8320	Phase 1
0.7135	Intermediate Similarity	NPD1243	Approved
0.7135	Intermediate Similarity	NPD7228	Approved
0.7118	Intermediate Similarity	NPD1471	Phase 3
0.7118	Intermediate Similarity	NPD2346	Discontinued
0.711	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7101	Intermediate Similarity	NPD3748	Approved
0.7095	Intermediate Similarity	NPD5760	Phase 2
0.7095	Intermediate Similarity	NPD5761	Phase 2
0.7094	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7094	Intermediate Similarity	NPD7783	Phase 2
0.7093	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7069	Intermediate Similarity	NPD7390	Discontinued
0.7065	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7062	Intermediate Similarity	NPD8491	Approved
0.7059	Intermediate Similarity	NPD2935	Discontinued
0.7056	Intermediate Similarity	NPD8285	Discontinued
0.7039	Intermediate Similarity	NPD37	Approved
0.7035	Intermediate Similarity	NPD6823	Phase 2
0.7028	Intermediate Similarity	NPD8469	Approved
0.7026	Intermediate Similarity	NPD4360	Phase 2
0.7026	Intermediate Similarity	NPD4363	Phase 3
0.7021	Intermediate Similarity	NPD5953	Discontinued
0.7019	Intermediate Similarity	NPD4665	Approved
0.7019	Intermediate Similarity	NPD4111	Phase 1
0.7018	Intermediate Similarity	NPD2344	Approved
0.7017	Intermediate Similarity	NPD4965	Approved
0.7017	Intermediate Similarity	NPD4966	Approved
0.7017	Intermediate Similarity	NPD4967	Phase 2
0.7005	Intermediate Similarity	NPD7286	Phase 2
0.7	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD2799	Discontinued
0.6994	Remote Similarity	NPD4628	Phase 3
0.6984	Remote Similarity	NPD7685	Pre-registration
0.698	Remote Similarity	NPD7584	Approved
0.6966	Remote Similarity	NPD7458	Discontinued
0.6959	Remote Similarity	NPD1551	Phase 2
0.6957	Remote Similarity	NPD7199	Phase 2
0.6952	Remote Similarity	NPD8155	Clinical (unspecified phase)
0.6946	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6946	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6946	Remote Similarity	NPD2313	Discontinued
0.694	Remote Similarity	NPD6234	Discontinued
0.6919	Remote Similarity	NPD7229	Phase 3
0.6904	Remote Similarity	NPD4362	Clinical (unspecified phase)
0.6904	Remote Similarity	NPD4361	Phase 2
0.6901	Remote Similarity	NPD651	Clinical (unspecified phase)
0.6895	Remote Similarity	NPD6764	Approved
0.6895	Remote Similarity	NPD6765	Approved
0.6875	Remote Similarity	NPD8407	Phase 2
0.6872	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6865	Remote Similarity	NPD8127	Discontinued
0.6862	Remote Similarity	NPD7893	Clinical (unspecified phase)
0.6862	Remote Similarity	NPD7799	Discontinued
0.6857	Remote Similarity	NPD6190	Approved
0.6857	Remote Similarity	NPD2309	Approved
0.6854	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6845	Remote Similarity	NPD7784	Clinical (unspecified phase)
0.6845	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD8404	Phase 2
0.6836	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6826	Remote Similarity	NPD4908	Phase 1
0.6821	Remote Similarity	NPD4287	Approved
0.6818	Remote Similarity	NPD3300	Phase 2
0.6813	Remote Similarity	NPD8455	Phase 2
0.6808	Remote Similarity	NPD5619	Clinical (unspecified phase)
0.6806	Remote Similarity	NPD7240	Approved
0.6806	Remote Similarity	NPD8368	Discontinued
0.6782	Remote Similarity	NPD3057	Approved
0.6782	Remote Similarity	NPD2424	Discontinued
0.6765	Remote Similarity	NPD943	Approved
0.6765	Remote Similarity	NPD7211	Clinical (unspecified phase)
0.6758	Remote Similarity	NPD6844	Discontinued
0.6753	Remote Similarity	NPD6785	Approved
0.6753	Remote Similarity	NPD6784	Approved
0.6746	Remote Similarity	NPD3268	Approved
0.6746	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.6742	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.6727	Remote Similarity	NPD4749	Approved
0.6725	Remote Similarity	NPD447	Suspended
0.6725	Remote Similarity	NPD6355	Discontinued
0.6725	Remote Similarity	NPD230	Phase 1
0.6724	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6723	Remote Similarity	NPD7236	Approved
0.6722	Remote Similarity	NPD1653	Approved
0.6717	Remote Similarity	NPD6212	Phase 3
0.6717	Remote Similarity	NPD6213	Phase 3

Structure

NPC476159 OpenBabel07101718282D 42 47 0 0 1 0 0 0 0 0999 V2000 -1.3876 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1196 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9119 1.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4690 -0.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9690 0.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5855 -2.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6719 -2.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6392 -1.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2536 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3876 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2052 1.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7752 -1.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4690 -1.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 0.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3876 -1.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4864 -1.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3141 0.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2536 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1437 1.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0814 -1.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3876 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6938 -1.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7983 -1.3951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6938 -1.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3876 -1.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0814 -0.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6938 -0.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1352 -0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4690 -0.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7765 -1.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0814 -1.2017 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6073 0.0062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6938 -0.4006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2526 -0.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3876 -2.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0661 -0.1183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -1.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7752 -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 2.2765 -0.7370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 18 1 0 0 0 0 3 19 1 0 0 0 0 4 30 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 31 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 21 1 0 0 0 0 11 14 1 0 0 0 0 11 19 2 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 30 1 0 0 0 0 14 33 1 0 0 0 0 15 22 2 0 0 0 0 15 32 1 0 0 0 0 16 23 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 35 1 0 0 0 0 20 25 2 0 0 0 0 20 27 1 0 0 0 0 21 27 2 0 0 0 0 21 28 1 0 0 0 0 22 26 1 0 0 0 0 23 31 1 0 0 0 0 23 34 1 6 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 28 2 0 0 0 0 25 36 1 0 0 0 0 26 37 2 0 0 0 0 27 40 1 0 0 0 0 28 41 1 0 0 0 0 29 32 1 0 0 0 0 29 33 1 0 0 0 0 29 38 2 0 0 0 0 30 40 1 0 0 0 0 31 42 1 0 0 0 0 32 39 1 1 0 0 0 33 34 1 6 0 0 0 33 42 1 0 0 0 0 34 22 1 6 0 0 0 34 41 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	45269745
ChEMBL	CHEMBL541450
ZINC

Physicochemical Properties

Molecular Weight:	576.27
ALogP:	1.7331
MLogP:	4.32
XLogP:	1.927
# Rotatable Bonds:	16
Polar Surface Area:	111.52
# H-Bond Aceptor:	5
# H-Bond Donor:	2
# Rings:	4
# Heavy Atoms:	42

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs