NPASS Natural Product

Natural Product: NPC268602

Natural Product ID:	NPC268602
Common Name:	n.a.
IUPAC Name:
Synonyms:	(+)-Arisugacin A
Molecular Formula:	C28H32O8
Standard InCHIKey:	MIHBCQWIBJDVPX-JUDWXZBOSA-N
Standard InCHI:	InChI=1S/C28H32O8/c1-24(2)10-9-22(29)26(4)27(24,31)12-11-25(3)28(26,32)15-17-20(36-25)14-19(35-23(17)30)16-7-8-18(33-5)21(13-16)34-6/h7-10,13-14,31-32H,11-12,15H2,1-6H3/t25-,26+,27-,28-/m1/s1
Canonical SMILES:	COc1cc(ccc1OC)c1cc2O[C@]3(C)CC[C@@]4([C@]([C@]3(Cc2c(=O)o1)O)(C)C(=O)C=CC4(C)C)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
NPO31059	Penicillium	Genus	Aspergillaceae	Eukaryota				PMID[7649881]

Biological Activity

Activity Type	# Activity
IC50	6

Activity Type	# Activity
Individual Protein	6

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT204	Individual Protein	Acetylcholinesterase	Homo sapiens	IC50	=	1	nM	10890154
NPT1214	Individual Protein	Acyl coenzyme A:cholesterol acyltransferase 1	Homo sapiens	IC50	>	50000	nM	10890154
NPT204	Individual Protein	Acetylcholinesterase	Homo sapiens	IC50	=	1	nM	21216144
NPT439	Individual Protein	Butyrylcholinesterase	Homo sapiens	IC50	=	18000	nM	21216144
NPT204	Individual Protein	Acetylcholinesterase	Homo sapiens	IC50	=	1	nM	26159481

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 NPC268602 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	1109
0.2-0.3	2034
0.3-0.4	4060
0.4-0.5	6381
0.5-0.6	5377
0.6-0.7	4226
0.7-0.8	7016
0.8-0.85	393
0.85-0.9	2
0.9-0.95	1
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9597	High Similarity	NPC231668
0.9211	High Similarity	NPC119252
0.894	High Similarity	NPC169942
0.8667	High Similarity	NPC472803
0.8428	Intermediate Similarity	NPC124842
0.8424	Intermediate Similarity	NPC191930
0.8408	Intermediate Similarity	NPC1580
0.8402	Intermediate Similarity	NPC294149
0.8364	Intermediate Similarity	NPC249181
0.8333	Intermediate Similarity	NPC471968
0.8323	Intermediate Similarity	NPC62051
0.8323	Intermediate Similarity	NPC305710
0.8323	Intermediate Similarity	NPC283041
0.8313	Intermediate Similarity	NPC473773
0.8313	Intermediate Similarity	NPC475579
0.8293	Intermediate Similarity	NPC185617
0.8284	Intermediate Similarity	NPC472620
0.8284	Intermediate Similarity	NPC472638
0.8284	Intermediate Similarity	NPC472639
0.8284	Intermediate Similarity	NPC475669
0.828	Intermediate Similarity	NPC98356
0.8276	Intermediate Similarity	NPC96194
0.8276	Intermediate Similarity	NPC299855
0.8274	Intermediate Similarity	NPC476637
0.8274	Intermediate Similarity	NPC202428
0.8274	Intermediate Similarity	NPC266545
0.8263	Intermediate Similarity	NPC200726
0.8263	Intermediate Similarity	NPC39091
0.8263	Intermediate Similarity	NPC20237
0.8258	Intermediate Similarity	NPC46180
0.8253	Intermediate Similarity	NPC477689
0.8253	Intermediate Similarity	NPC306321
0.8253	Intermediate Similarity	NPC100420
0.8253	Intermediate Similarity	NPC303460
0.825	Intermediate Similarity	NPC475311
0.825	Intermediate Similarity	NPC473579
0.825	Intermediate Similarity	NPC473680
0.825	Intermediate Similarity	NPC118033
0.825	Intermediate Similarity	NPC475454
0.8242	Intermediate Similarity	NPC57715
0.8242	Intermediate Similarity	NPC234644
0.8242	Intermediate Similarity	NPC259456
0.8239	Intermediate Similarity	NPC101043
0.8239	Intermediate Similarity	NPC474306
0.8239	Intermediate Similarity	NPC306799
0.8239	Intermediate Similarity	NPC475848
0.8232	Intermediate Similarity	NPC68619
0.8232	Intermediate Similarity	NPC315157
0.8232	Intermediate Similarity	NPC187792
0.8229	Intermediate Similarity	NPC189704
0.8225	Intermediate Similarity	NPC101107
0.8225	Intermediate Similarity	NPC109827
0.8225	Intermediate Similarity	NPC124470
0.8221	Intermediate Similarity	NPC474983
0.8221	Intermediate Similarity	NPC473275
0.8221	Intermediate Similarity	NPC474167
0.8221	Intermediate Similarity	NPC470762
0.8221	Intermediate Similarity	NPC470896
0.8214	Intermediate Similarity	NPC470377
0.8214	Intermediate Similarity	NPC478059
0.8214	Intermediate Similarity	NPC470374
0.8214	Intermediate Similarity	NPC478060
0.8214	Intermediate Similarity	NPC471975
0.8214	Intermediate Similarity	NPC177362
0.821	Intermediate Similarity	NPC472408
0.8208	Intermediate Similarity	NPC188217
0.8204	Intermediate Similarity	NPC472450
0.8204	Intermediate Similarity	NPC303174
0.8204	Intermediate Similarity	NPC156432
0.8204	Intermediate Similarity	NPC275780
0.8204	Intermediate Similarity	NPC239752
0.8204	Intermediate Similarity	NPC50960
0.8204	Intermediate Similarity	NPC475369
0.8193	Intermediate Similarity	NPC229632
0.8193	Intermediate Similarity	NPC472448
0.8193	Intermediate Similarity	NPC83922
0.8193	Intermediate Similarity	NPC261470
0.8193	Intermediate Similarity	NPC78332
0.8187	Intermediate Similarity	NPC237441
0.8187	Intermediate Similarity	NPC146014
0.8187	Intermediate Similarity	NPC474305
0.8187	Intermediate Similarity	NPC469354
0.8187	Intermediate Similarity	NPC469438
0.8182	Intermediate Similarity	NPC472055
0.8182	Intermediate Similarity	NPC476067
0.8182	Intermediate Similarity	NPC188433
0.8182	Intermediate Similarity	NPC188649
0.8182	Intermediate Similarity	NPC476980
0.8182	Intermediate Similarity	NPC475121
0.8182	Intermediate Similarity	NPC28241
0.8176	Intermediate Similarity	NPC470757
0.8176	Intermediate Similarity	NPC158226
0.8176	Intermediate Similarity	NPC77598
0.8171	Intermediate Similarity	NPC476981
0.8171	Intermediate Similarity	NPC78071
0.8166	Intermediate Similarity	NPC99613
0.8166	Intermediate Similarity	NPC288813
0.8166	Intermediate Similarity	NPC472619
0.8166	Intermediate Similarity	NPC475805
0.8166	Intermediate Similarity	NPC49487
0.8166	Intermediate Similarity	NPC188079
0.8165	Intermediate Similarity	NPC258856
0.8161	Intermediate Similarity	NPC182693
0.816	Intermediate Similarity	NPC16286
0.8158	Intermediate Similarity	NPC37065
0.8155	Intermediate Similarity	NPC272502
0.8155	Intermediate Similarity	NPC471823
0.8155	Intermediate Similarity	NPC469394
0.8155	Intermediate Similarity	NPC472449
0.8155	Intermediate Similarity	NPC37870
0.8155	Intermediate Similarity	NPC296558
0.8153	Intermediate Similarity	NPC183824
0.8153	Intermediate Similarity	NPC469615
0.8153	Intermediate Similarity	NPC470130
0.815	Intermediate Similarity	NPC108191
0.815	Intermediate Similarity	NPC93685
0.8148	Intermediate Similarity	NPC19380
0.8148	Intermediate Similarity	NPC327225
0.8148	Intermediate Similarity	NPC146277
0.8148	Intermediate Similarity	NPC474993
0.8144	Intermediate Similarity	NPC220313
0.8144	Intermediate Similarity	NPC12461
0.8144	Intermediate Similarity	NPC189473
0.8144	Intermediate Similarity	NPC474350
0.8144	Intermediate Similarity	NPC23298
0.8136	Intermediate Similarity	NPC230670
0.8136	Intermediate Similarity	NPC71385
0.8133	Intermediate Similarity	NPC288602
0.8133	Intermediate Similarity	NPC29876
0.8133	Intermediate Similarity	NPC88841
0.8133	Intermediate Similarity	NPC266365
0.8133	Intermediate Similarity	NPC167678
0.8133	Intermediate Similarity	NPC40037
0.8129	Intermediate Similarity	NPC471969
0.8129	Intermediate Similarity	NPC191280
0.8121	Intermediate Similarity	NPC197856
0.8121	Intermediate Similarity	NPC184755
0.8121	Intermediate Similarity	NPC470339
0.8121	Intermediate Similarity	NPC74178
0.8121	Intermediate Similarity	NPC204879
0.8118	Intermediate Similarity	NPC103307
0.8118	Intermediate Similarity	NPC472276
0.8113	Intermediate Similarity	NPC299090
0.8113	Intermediate Similarity	NPC143892
0.8113	Intermediate Similarity	NPC58752
0.8113	Intermediate Similarity	NPC30720
0.8113	Intermediate Similarity	NPC283081
0.8113	Intermediate Similarity	NPC221383
0.811	Intermediate Similarity	NPC88007
0.811	Intermediate Similarity	NPC472050
0.811	Intermediate Similarity	NPC180340
0.811	Intermediate Similarity	NPC195954
0.811	Intermediate Similarity	NPC472455
0.811	Intermediate Similarity	NPC471985
0.8107	Intermediate Similarity	NPC8965
0.8107	Intermediate Similarity	NPC476306
0.8107	Intermediate Similarity	NPC218226
0.8107	Intermediate Similarity	NPC473094
0.8107	Intermediate Similarity	NPC234331
0.8107	Intermediate Similarity	NPC126204
0.8101	Intermediate Similarity	NPC469683
0.8098	Intermediate Similarity	NPC124714
0.8098	Intermediate Similarity	NPC250557
0.8098	Intermediate Similarity	NPC477048
0.8098	Intermediate Similarity	NPC477299
0.8098	Intermediate Similarity	NPC477047
0.8098	Intermediate Similarity	NPC186507
0.8098	Intermediate Similarity	NPC128961
0.8095	Intermediate Similarity	NPC85057
0.8095	Intermediate Similarity	NPC130920
0.8095	Intermediate Similarity	NPC471788
0.8095	Intermediate Similarity	NPC26386
0.8095	Intermediate Similarity	NPC474301
0.809	Intermediate Similarity	NPC112708
0.8089	Intermediate Similarity	NPC285550
0.8086	Intermediate Similarity	NPC163883
0.8086	Intermediate Similarity	NPC228662
0.8086	Intermediate Similarity	NPC93498
0.8086	Intermediate Similarity	NPC262623
0.8086	Intermediate Similarity	NPC95498
0.8086	Intermediate Similarity	NPC221249
0.8086	Intermediate Similarity	NPC246566
0.8084	Intermediate Similarity	NPC140346
0.8084	Intermediate Similarity	NPC474162
0.8084	Intermediate Similarity	NPC206605
0.8084	Intermediate Similarity	NPC329760
0.8084	Intermediate Similarity	NPC474150
0.8084	Intermediate Similarity	NPC108767
0.8081	Intermediate Similarity	NPC475244
0.8072	Intermediate Similarity	NPC474960
0.8072	Intermediate Similarity	NPC68848
0.8072	Intermediate Similarity	NPC297212
0.8072	Intermediate Similarity	NPC471973
0.8072	Intermediate Similarity	NPC476280
0.8072	Intermediate Similarity	NPC139036
0.8072	Intermediate Similarity	NPC24627
0.8072	Intermediate Similarity	NPC204290
0.8072	Intermediate Similarity	NPC130955
0.807	Intermediate Similarity	NPC469776
0.807	Intermediate Similarity	NPC469774

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC268602 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	313
0.1-0.2	844
0.2-0.3	1602
0.3-0.4	2567
0.4-0.5	1971
0.5-0.6	1166
0.6-0.7	540
0.7-0.8	153
0.8-0.85	5
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8155	Intermediate Similarity	NPD7473	Discontinued
0.815	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.8084	Intermediate Similarity	NPD6232	Discontinued
0.8049	Intermediate Similarity	NPD3817	Phase 2
0.8011	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7988	Intermediate Similarity	NPD2801	Approved
0.7917	Intermediate Similarity	NPD8127	Discontinued
0.7911	Intermediate Similarity	NPD8166	Discontinued
0.7898	Intermediate Similarity	NPD8434	Phase 2
0.7879	Intermediate Similarity	NPD7819	Suspended
0.7849	Intermediate Similarity	NPD5844	Phase 1
0.7784	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7751	Intermediate Similarity	NPD5494	Approved
0.775	Intermediate Similarity	NPD6190	Approved
0.7746	Intermediate Similarity	NPD7054	Approved
0.7722	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7711	Intermediate Similarity	NPD1934	Approved
0.7711	Intermediate Similarity	NPD37	Approved
0.7701	Intermediate Similarity	NPD7472	Approved
0.7701	Intermediate Similarity	NPD7074	Phase 3
0.7697	Intermediate Similarity	NPD4380	Phase 2
0.7697	Intermediate Similarity	NPD6599	Discontinued
0.7692	Intermediate Similarity	NPD6234	Discontinued
0.7688	Intermediate Similarity	NPD3818	Discontinued
0.7688	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7688	Intermediate Similarity	NPD4628	Phase 3
0.7688	Intermediate Similarity	NPD7228	Approved
0.7679	Intermediate Similarity	NPD4967	Phase 2
0.7679	Intermediate Similarity	NPD4966	Approved
0.7679	Intermediate Similarity	NPD4965	Approved
0.7674	Intermediate Similarity	NPD6166	Phase 2
0.7674	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7674	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.767	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7665	Intermediate Similarity	NPD1465	Phase 2
0.7665	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7665	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7654	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7633	Intermediate Similarity	NPD7075	Discontinued
0.7622	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7619	Intermediate Similarity	NPD5402	Approved
0.759	Intermediate Similarity	NPD7028	Phase 2
0.7586	Intermediate Similarity	NPD3751	Discontinued
0.7574	Intermediate Similarity	NPD3882	Suspended
0.7571	Intermediate Similarity	NPD7808	Phase 3
0.7546	Intermediate Similarity	NPD1511	Approved
0.753	Intermediate Similarity	NPD7458	Discontinued
0.753	Intermediate Similarity	NPD3226	Approved
0.7514	Intermediate Similarity	NPD7251	Discontinued
0.7514	Intermediate Similarity	NPD7240	Approved
0.7514	Intermediate Similarity	NPD7685	Pre-registration
0.75	Intermediate Similarity	NPD7199	Phase 2
0.75	Intermediate Similarity	NPD6801	Discontinued
0.75	Intermediate Similarity	NPD8150	Discontinued
0.7469	Intermediate Similarity	NPD3750	Approved
0.7458	Intermediate Similarity	NPD6797	Phase 2
0.7458	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7457	Intermediate Similarity	NPD3787	Discontinued
0.7455	Intermediate Similarity	NPD1512	Approved
0.7453	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.744	Intermediate Similarity	NPD7411	Suspended
0.7439	Intermediate Similarity	NPD6799	Approved
0.7438	Intermediate Similarity	NPD6100	Approved
0.7438	Intermediate Similarity	NPD6099	Approved
0.7438	Intermediate Similarity	NPD2935	Discontinued
0.7427	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7414	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7394	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7394	Intermediate Similarity	NPD2533	Approved
0.7394	Intermediate Similarity	NPD2532	Approved
0.7394	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7394	Intermediate Similarity	NPD2534	Approved
0.7391	Intermediate Similarity	NPD2346	Discontinued
0.7375	Intermediate Similarity	NPD3748	Approved
0.7372	Intermediate Similarity	NPD7095	Approved
0.7362	Intermediate Similarity	NPD4110	Phase 3
0.7362	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7345	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD8313	Approved
0.7333	Intermediate Similarity	NPD8312	Approved
0.7325	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7316	Intermediate Similarity	NPD7435	Discontinued
0.7305	Intermediate Similarity	NPD5403	Approved
0.7301	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7299	Intermediate Similarity	NPD6959	Discontinued
0.7296	Intermediate Similarity	NPD447	Suspended
0.7296	Intermediate Similarity	NPD230	Phase 1
0.7289	Intermediate Similarity	NPD5401	Approved
0.7283	Intermediate Similarity	NPD919	Approved
0.7273	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD1510	Phase 2
0.7267	Intermediate Similarity	NPD2799	Discontinued
0.7256	Intermediate Similarity	NPD7003	Approved
0.7235	Intermediate Similarity	NPD6386	Approved
0.7235	Intermediate Similarity	NPD6385	Approved
0.7225	Intermediate Similarity	NPD3749	Approved
0.7222	Intermediate Similarity	NPD2796	Approved
0.7216	Intermediate Similarity	NPD3926	Phase 2
0.7215	Intermediate Similarity	NPD2313	Discontinued
0.7209	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7208	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7205	Intermediate Similarity	NPD7097	Phase 1
0.72	Intermediate Similarity	NPD1247	Approved
0.7186	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7178	Intermediate Similarity	NPD7266	Discontinued
0.717	Intermediate Similarity	NPD8032	Phase 2
0.7168	Intermediate Similarity	NPD7768	Phase 2
0.716	Intermediate Similarity	NPD7033	Discontinued
0.716	Intermediate Similarity	NPD1653	Approved
0.7158	Intermediate Similarity	NPD6779	Approved
0.7158	Intermediate Similarity	NPD6778	Approved
0.7158	Intermediate Similarity	NPD6781	Approved
0.7158	Intermediate Similarity	NPD6782	Approved
0.7158	Intermediate Similarity	NPD6780	Approved
0.7158	Intermediate Similarity	NPD6777	Approved
0.7158	Intermediate Similarity	NPD6776	Approved
0.7151	Intermediate Similarity	NPD8455	Phase 2
0.7143	Intermediate Similarity	NPD1608	Approved
0.7143	Intermediate Similarity	NPD1607	Approved
0.7143	Intermediate Similarity	NPD6273	Approved
0.7135	Intermediate Similarity	NPD7497	Discontinued
0.7127	Intermediate Similarity	NPD6559	Discontinued
0.7127	Intermediate Similarity	NPD8368	Discontinued
0.7125	Intermediate Similarity	NPD1240	Approved
0.7119	Intermediate Similarity	NPD5242	Approved
0.7107	Intermediate Similarity	NPD3268	Approved
0.7092	Intermediate Similarity	NPD7874	Approved
0.7092	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7091	Intermediate Similarity	NPD2800	Approved
0.7086	Intermediate Similarity	NPD5536	Phase 2
0.7081	Intermediate Similarity	NPD6355	Discontinued
0.7063	Intermediate Similarity	NPD6233	Phase 2
0.7062	Intermediate Similarity	NPD7229	Phase 3
0.7051	Intermediate Similarity	NPD1283	Approved
0.7049	Intermediate Similarity	NPD3534	Clinical (unspecified phase)
0.7047	Intermediate Similarity	NPD7696	Phase 3
0.7047	Intermediate Similarity	NPD7698	Approved
0.7047	Intermediate Similarity	NPD7697	Approved
0.7044	Intermediate Similarity	NPD3027	Phase 3
0.7041	Intermediate Similarity	NPD8151	Discontinued
0.7041	Intermediate Similarity	NPD7314	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD6651	Approved
0.7032	Intermediate Similarity	NPD3972	Approved
0.703	Intermediate Similarity	NPD1549	Phase 2
0.7025	Intermediate Similarity	NPD9494	Approved
0.7019	Intermediate Similarity	NPD943	Approved
0.7012	Intermediate Similarity	NPD2438	Suspended
0.7011	Intermediate Similarity	NPD5353	Approved
0.7011	Intermediate Similarity	NPD8407	Phase 2
0.701	Intermediate Similarity	NPD7870	Phase 2
0.701	Intermediate Similarity	NPD7871	Phase 2
0.7006	Intermediate Similarity	NPD2797	Approved
0.7	Intermediate Similarity	NPD2975	Approved
0.7	Intermediate Similarity	NPD6798	Discontinued
0.7	Intermediate Similarity	NPD2973	Approved
0.7	Intermediate Similarity	NPD2974	Approved
0.7	Intermediate Similarity	NPD920	Approved
0.7	Intermediate Similarity	NPD3764	Approved
0.6995	Remote Similarity	NPD7549	Discontinued
0.6995	Remote Similarity	NPD6823	Phase 2
0.699	Remote Similarity	NPD7701	Phase 2
0.6988	Remote Similarity	NPD6674	Discontinued
0.6975	Remote Similarity	NPD1933	Approved
0.697	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.697	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6964	Remote Similarity	NPD7236	Approved
0.6962	Remote Similarity	NPD2798	Approved
0.6954	Remote Similarity	NPD5761	Phase 2
0.6954	Remote Similarity	NPD5760	Phase 2
0.6952	Remote Similarity	NPD8435	Approved
0.6952	Remote Similarity	NPD8361	Approved
0.6952	Remote Similarity	NPD8360	Approved
0.6948	Remote Similarity	NPD1778	Approved
0.6948	Remote Similarity	NPD17	Approved
0.6948	Remote Similarity	NPD4626	Approved
0.6946	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6943	Remote Similarity	NPD2493	Approved
0.6943	Remote Similarity	NPD3225	Approved
0.6943	Remote Similarity	NPD2494	Approved
0.6936	Remote Similarity	NPD6873	Phase 2
0.6927	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD7390	Discontinued
0.6919	Remote Similarity	NPD7090	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD2979	Phase 3
0.6914	Remote Similarity	NPD4060	Phase 1
0.6912	Remote Similarity	NPD7907	Approved
0.6906	Remote Similarity	NPD7799	Discontinued
0.6899	Remote Similarity	NPD3267	Approved
0.6899	Remote Similarity	NPD3266	Approved
0.6895	Remote Similarity	NPD6534	Approved
0.6895	Remote Similarity	NPD6535	Approved
0.6894	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.6893	Remote Similarity	NPD5537	Clinical (unspecified phase)
0.6891	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.6891	Remote Similarity	NPD4580	Approved
0.6886	Remote Similarity	NPD1243	Approved
0.6884	Remote Similarity	NPD7783	Phase 2
0.6884	Remote Similarity	NPD7801	Approved
0.6884	Remote Similarity	NPD7782	Clinical (unspecified phase)
0.6883	Remote Similarity	NPD1651	Approved

Structure

CID268602 OpenBabel06191716072D 36 40 0 0 1 0 0 0 0 0999 V2000 -3.3943 -0.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2257 1.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8248 -1.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 2.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5983 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1239 2.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9487 2.8571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6496 -1.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4744 -1.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8248 1.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6496 0.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9487 0.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4744 1.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8248 -0.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1239 1.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6496 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7735 2.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2991 0.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6496 0.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7735 1.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8248 -1.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4744 -0.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4744 -0.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.9524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8248 -0.4762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6496 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 -1.9048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4744 -1.4286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4744 0.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5983 2.8571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5983 0.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2991 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8248 1.4286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 24 1 0 0 0 0 3 25 1 0 0 0 0 4 26 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 16 1 0 0 0 0 8 18 1 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 27 1 0 0 0 0 13 16 2 0 0 0 0 13 21 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 23 1 0 0 0 0 18 21 2 0 0 0 0 18 33 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 34 1 0 0 0 0 22 26 1 0 0 0 0 22 29 2 0 0 0 0 23 30 2 0 0 0 0 23 35 1 0 0 0 0 24 27 1 0 0 0 0 25 28 1 6 0 0 0 25 36 1 0 0 0 0 26 27 1 6 0 0 0 27 31 1 1 0 0 0 28 26 1 6 0 0 0 28 32 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	10255275
ChEMBL	CHEMBL283509
ZINC

Physicochemical Properties

Molecular Weight:	496.21
ALogP:	0.2779
MLogP:	3.66
XLogP:	2.116
# Rotatable Bonds:	11
Polar Surface Area:	111.52
# H-Bond Aceptor:	6
# H-Bond Donor:	2
# Rings:	5
# Heavy Atoms:	36

Download Data

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