NPASS Natural Product

Natural Product: NPC294722

Natural Product ID:	NPC294722
Common Name:	Cypellocarpa C
IUPAC Name:	[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-2-methyl-4-oxochromen-7-yl)oxyoxan-2-yl]methyl (4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate
Synonyms:	Cypellocarpa C; Cypellocarpin C
Molecular Formula:	C26H32O11
Standard InCHIKey:	OUBDJJFZUQGQLU-ZHFYLPRNSA-N
Standard InCHI:	InChI=1S/C26H32O11/c1-12-8-16(27)20-17(28)9-15(10-18(20)35-12)36-25-23(31)22(30)21(29)19(37-25)11-34-24(32)13-4-6-14(7-5-13)26(2,3)33/h4,8-10,14,19,21-23,25,28-31,33H,5-7,11H2,1-3H3/t14-,19+,21+,22-,23+,25+/m0/s1
Canonical SMILES:	O[C@@H]1[C@@H](COC(=O)C2=CC[C@@H](CC2)C(O)(C)C)O[C@H]([C@@H]([C@H]1O)O)Oc1cc(O)c2c(c1)oc(cc2=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
NPO20620	Eucalyptus cypellocarpa	Species	Myrtaceae	Eukaryota				PMID[11000030]
NPO9838	Eucalyptus maideni	Species	Myrtaceae	Eukaryota	fresh leaves			PMID[19778089]

Biological Activity

Activity Type	# Activity
Others	9

Activity Type	# Activity
Cell Line	4
Organism	1
Others	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT492	Cell Line	Caco-2	Homo sapiens	Ratio	=	2.74		PubChem BioAssay data set
NPT492	Cell Line	Caco-2	Homo sapiens	Ratio	=	1.8		PubChem BioAssay data set
NPT492	Cell Line	Caco-2	Homo sapiens	Ratio	=	1.81		21105712
NPT2	Others	Unspecified		Activity	=	19.5	%	DrugMatrix in vivo data: Pathology
NPT2	Others	Unspecified		Activity	=	45.2	%	DrugMatrix in vivo data: Pathology
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	30	%	24359277
NPT2	Others	Unspecified		Activity	=	78.6	%	1517742
NPT2	Others	Unspecified		Activity	=	100	%	7911157
NPT80	Cell Line	Raji	Homo sapiens	Activity	=	70	%	21741130

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 NPC294722 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	279
0.1-0.2	1101
0.2-0.3	2168
0.3-0.4	4323
0.4-0.5	6881
0.5-0.6	5161
0.6-0.7	3517
0.7-0.8	4792
0.8-0.85	1921
0.85-0.9	652
0.9-0.95	93
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9872	High Similarity	NPC475979
0.9304	High Similarity	NPC73511
0.9304	High Similarity	NPC43761
0.929	High Similarity	NPC190217
0.929	High Similarity	NPC134819
0.9245	High Similarity	NPC271479
0.9241	High Similarity	NPC197896
0.9241	High Similarity	NPC313163
0.9241	High Similarity	NPC43638
0.9241	High Similarity	NPC161749
0.9241	High Similarity	NPC156457
0.9241	High Similarity	NPC258035
0.9236	High Similarity	NPC470604
0.9236	High Similarity	NPC470603
0.9236	High Similarity	NPC470605
0.9226	High Similarity	NPC214454
0.9226	High Similarity	NPC477240
0.9226	High Similarity	NPC191154
0.9226	High Similarity	NPC106025
0.9187	High Similarity	NPC303913
0.9187	High Similarity	NPC101636
0.9182	High Similarity	NPC308265
0.9182	High Similarity	NPC470607
0.9177	High Similarity	NPC45165
0.9177	High Similarity	NPC127406
0.9172	High Similarity	NPC108706
0.9172	High Similarity	NPC211158
0.9172	High Similarity	NPC268950
0.9172	High Similarity	NPC78021
0.9172	High Similarity	NPC87304
0.9146	High Similarity	NPC76047
0.913	High Similarity	NPC298171
0.9125	High Similarity	NPC473623
0.9119	High Similarity	NPC470606
0.9114	High Similarity	NPC99233
0.9114	High Similarity	NPC95090
0.9114	High Similarity	NPC27408
0.9108	High Similarity	NPC256141
0.9097	High Similarity	NPC199335
0.9074	High Similarity	NPC183672
0.9074	High Similarity	NPC121703
0.9074	High Similarity	NPC257566
0.9074	High Similarity	NPC124155
0.9068	High Similarity	NPC129217
0.9068	High Similarity	NPC210961
0.9068	High Similarity	NPC159579
0.9068	High Similarity	NPC224530
0.9068	High Similarity	NPC85707
0.9068	High Similarity	NPC216496
0.9068	High Similarity	NPC472994
0.9068	High Similarity	NPC259957
0.9068	High Similarity	NPC48093
0.9068	High Similarity	NPC195685
0.9068	High Similarity	NPC270675
0.9068	High Similarity	NPC477628
0.9068	High Similarity	NPC477629
0.9062	High Similarity	NPC22062
0.9062	High Similarity	NPC138811
0.9062	High Similarity	NPC473634
0.9057	High Similarity	NPC170475
0.9057	High Similarity	NPC206378
0.9057	High Similarity	NPC17521
0.9057	High Similarity	NPC261866
0.9051	High Similarity	NPC210003
0.9051	High Similarity	NPC29763
0.9051	High Similarity	NPC83283
0.9051	High Similarity	NPC106625
0.9051	High Similarity	NPC39360
0.9051	High Similarity	NPC143851
0.9032	High Similarity	NPC23084
0.903	High Similarity	NPC298778
0.9024	High Similarity	NPC249977
0.9018	High Similarity	NPC72016
0.9018	High Similarity	NPC139060
0.9018	High Similarity	NPC7752
0.9012	High Similarity	NPC27942
0.9012	High Similarity	NPC131745
0.9012	High Similarity	NPC472876
0.9012	High Similarity	NPC44947
0.9006	High Similarity	NPC246469
0.9006	High Similarity	NPC271270
0.9006	High Similarity	NPC97285
0.9006	High Similarity	NPC200708
0.9006	High Similarity	NPC142860
0.9006	High Similarity	NPC472320
0.9	High Similarity	NPC60966
0.9	High Similarity	NPC129827
0.9	High Similarity	NPC65003
0.9	High Similarity	NPC473512
0.9	High Similarity	NPC23817
0.9	High Similarity	NPC108831
0.9	High Similarity	NPC122809
0.9	High Similarity	NPC182634
0.9	High Similarity	NPC44931
0.8994	High Similarity	NPC26195
0.8994	High Similarity	NPC169248
0.8994	High Similarity	NPC97052
0.8994	High Similarity	NPC72649
0.8994	High Similarity	NPC39351
0.8987	High Similarity	NPC259767
0.8987	High Similarity	NPC259182
0.8987	High Similarity	NPC88484
0.8987	High Similarity	NPC121001
0.8982	High Similarity	NPC68381
0.8982	High Similarity	NPC63105
0.8982	High Similarity	NPC474345
0.8981	High Similarity	NPC180351
0.8981	High Similarity	NPC213723
0.8981	High Similarity	NPC38775
0.897	High Similarity	NPC259905
0.8963	High Similarity	NPC89809
0.8963	High Similarity	NPC473278
0.8963	High Similarity	NPC68592
0.8963	High Similarity	NPC262222
0.8963	High Similarity	NPC260504
0.8963	High Similarity	NPC298666
0.8963	High Similarity	NPC64425
0.8957	High Similarity	NPC80068
0.8957	High Similarity	NPC66087
0.8957	High Similarity	NPC278419
0.8957	High Similarity	NPC179198
0.8957	High Similarity	NPC473644
0.8951	High Similarity	NPC47923
0.8951	High Similarity	NPC282169
0.8944	High Similarity	NPC104677
0.8944	High Similarity	NPC111929
0.8944	High Similarity	NPC41121
0.8944	High Similarity	NPC320283
0.8944	High Similarity	NPC472459
0.8938	High Similarity	NPC265480
0.8938	High Similarity	NPC473657
0.8938	High Similarity	NPC149368
0.8938	High Similarity	NPC323593
0.8938	High Similarity	NPC307938
0.8938	High Similarity	NPC203500
0.8938	High Similarity	NPC295613
0.8924	High Similarity	NPC23253
0.8922	High Similarity	NPC213052
0.8917	High Similarity	NPC139966
0.8917	High Similarity	NPC307052
0.8916	High Similarity	NPC210808
0.8916	High Similarity	NPC277532
0.8916	High Similarity	NPC188815
0.8916	High Similarity	NPC175429
0.8916	High Similarity	NPC138990
0.8916	High Similarity	NPC209550
0.8916	High Similarity	NPC199079
0.891	High Similarity	NPC218685
0.8909	High Similarity	NPC229729
0.8902	High Similarity	NPC129264
0.8902	High Similarity	NPC19240
0.8902	High Similarity	NPC205824
0.8902	High Similarity	NPC85751
0.8896	High Similarity	NPC475382
0.8896	High Similarity	NPC240306
0.8896	High Similarity	NPC259834
0.8896	High Similarity	NPC473043
0.8896	High Similarity	NPC190450
0.8896	High Similarity	NPC41009
0.8896	High Similarity	NPC150164
0.8889	High Similarity	NPC187379
0.8889	High Similarity	NPC106700
0.8889	High Similarity	NPC153342
0.8882	High Similarity	NPC135391
0.8882	High Similarity	NPC133671
0.8882	High Similarity	NPC477860
0.8882	High Similarity	NPC478226
0.8882	High Similarity	NPC77672
0.8882	High Similarity	NPC475161
0.8882	High Similarity	NPC54802
0.8882	High Similarity	NPC78263
0.8882	High Similarity	NPC6985
0.8882	High Similarity	NPC197304
0.8869	High Similarity	NPC199533
0.8869	High Similarity	NPC470454
0.8862	High Similarity	NPC288152
0.8862	High Similarity	NPC137871
0.8862	High Similarity	NPC271385
0.8862	High Similarity	NPC235575
0.8862	High Similarity	NPC101399
0.8862	High Similarity	NPC217822
0.8862	High Similarity	NPC11847
0.8862	High Similarity	NPC30432
0.8862	High Similarity	NPC76128
0.8862	High Similarity	NPC5029
0.8862	High Similarity	NPC111536
0.8862	High Similarity	NPC9002
0.8862	High Similarity	NPC221288
0.8862	High Similarity	NPC474522
0.8862	High Similarity	NPC257011
0.8855	High Similarity	NPC222455
0.8855	High Similarity	NPC5319
0.8854	High Similarity	NPC472345
0.8854	High Similarity	NPC10097
0.8848	High Similarity	NPC70441
0.8848	High Similarity	NPC178851
0.8841	High Similarity	NPC19709
0.8841	High Similarity	NPC311850
0.8841	High Similarity	NPC284960
0.8841	High Similarity	NPC88023

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC294722 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	296
0.1-0.2	837
0.2-0.3	1752
0.3-0.4	2487
0.4-0.5	2042
0.5-0.6	1163
0.6-0.7	389
0.7-0.8	152
0.8-0.85	31
0.85-0.9	11
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9241	High Similarity	NPD4381	Clinical (unspecified phase)
0.8855	High Similarity	NPD7804	Clinical (unspecified phase)
0.8743	High Similarity	NPD7054	Approved
0.869	High Similarity	NPD7472	Approved
0.869	High Similarity	NPD7074	Phase 3
0.865	High Similarity	NPD7075	Discontinued
0.8625	High Similarity	NPD4380	Phase 2
0.8588	High Similarity	NPD7251	Discontinued
0.8571	High Similarity	NPD3818	Discontinued
0.8538	High Similarity	NPD7808	Phase 3
0.8538	High Similarity	NPD4338	Clinical (unspecified phase)
0.8529	High Similarity	NPD6797	Phase 2
0.848	Intermediate Similarity	NPD6559	Discontinued
0.8466	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8405	Intermediate Similarity	NPD6801	Discontinued
0.8303	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.8258	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.8253	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.8242	Intermediate Similarity	NPD7819	Suspended
0.8232	Intermediate Similarity	NPD7411	Suspended
0.821	Intermediate Similarity	NPD5403	Approved
0.8182	Intermediate Similarity	NPD1934	Approved
0.8171	Intermediate Similarity	NPD8312	Approved
0.8171	Intermediate Similarity	NPD8313	Approved
0.8171	Intermediate Similarity	NPD6599	Discontinued
0.8165	Intermediate Similarity	NPD1549	Phase 2
0.8137	Intermediate Similarity	NPD6799	Approved
0.8133	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.8129	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.8129	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.8129	Intermediate Similarity	NPD6166	Phase 2
0.8101	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.8101	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.8086	Intermediate Similarity	NPD5401	Approved
0.8086	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.8086	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.8084	Intermediate Similarity	NPD5402	Approved
0.8084	Intermediate Similarity	NPD3817	Phase 2
0.8063	Intermediate Similarity	NPD3750	Approved
0.8063	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.805	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.8038	Intermediate Similarity	NPD2796	Approved
0.8023	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7975	Intermediate Similarity	NPD1510	Phase 2
0.7953	Intermediate Similarity	NPD6959	Discontinued
0.795	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.795	Intermediate Similarity	NPD4628	Phase 3
0.7929	Intermediate Similarity	NPD7768	Phase 2
0.7917	Intermediate Similarity	NPD2801	Approved
0.7898	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7886	Intermediate Similarity	NPD5844	Phase 1
0.7884	Intermediate Similarity	NPD7584	Approved
0.7882	Intermediate Similarity	NPD3749	Approved
0.7874	Intermediate Similarity	NPD7473	Discontinued
0.7853	Intermediate Similarity	NPD7685	Pre-registration
0.7831	Intermediate Similarity	NPD1653	Approved
0.7829	Intermediate Similarity	NPD7228	Approved
0.7819	Intermediate Similarity	NPD7435	Discontinued
0.7811	Intermediate Similarity	NPD8455	Phase 2
0.7805	Intermediate Similarity	NPD1511	Approved
0.7801	Intermediate Similarity	NPD8151	Discontinued
0.7791	Intermediate Similarity	NPD5494	Approved
0.7784	Intermediate Similarity	NPD7458	Discontinued
0.7758	Intermediate Similarity	NPD2532	Approved
0.7758	Intermediate Similarity	NPD2534	Approved
0.7758	Intermediate Similarity	NPD2533	Approved
0.775	Intermediate Similarity	NPD3748	Approved
0.7736	Intermediate Similarity	NPD1607	Approved
0.7727	Intermediate Similarity	NPD3751	Discontinued
0.7722	Intermediate Similarity	NPD1240	Approved
0.7719	Intermediate Similarity	NPD3882	Suspended
0.7711	Intermediate Similarity	NPD1512	Approved
0.7706	Intermediate Similarity	NPD1465	Phase 2
0.7702	Intermediate Similarity	NPD1551	Phase 2
0.7701	Intermediate Similarity	NPD6232	Discontinued
0.768	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7669	Intermediate Similarity	NPD2800	Approved
0.766	Intermediate Similarity	NPD6776	Approved
0.766	Intermediate Similarity	NPD6782	Approved
0.766	Intermediate Similarity	NPD6781	Approved
0.766	Intermediate Similarity	NPD6778	Approved
0.766	Intermediate Similarity	NPD6780	Approved
0.766	Intermediate Similarity	NPD6779	Approved
0.766	Intermediate Similarity	NPD6777	Approved
0.7656	Intermediate Similarity	NPD7585	Approved
0.765	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7647	Intermediate Similarity	NPD37	Approved
0.7644	Intermediate Similarity	NPD7199	Phase 2
0.7637	Intermediate Similarity	NPD8434	Phase 2
0.763	Intermediate Similarity	NPD6234	Discontinued
0.7629	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7629	Intermediate Similarity	NPD7783	Phase 2
0.7625	Intermediate Similarity	NPD6651	Approved
0.7616	Intermediate Similarity	NPD4967	Phase 2
0.7616	Intermediate Similarity	NPD4965	Approved
0.7616	Intermediate Similarity	NPD4966	Approved
0.7604	Intermediate Similarity	NPD7583	Approved
0.7595	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7594	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7593	Intermediate Similarity	NPD6099	Approved
0.7593	Intermediate Similarity	NPD6100	Approved
0.7577	Intermediate Similarity	NPD7874	Approved
0.7577	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7562	Intermediate Similarity	NPD5124	Phase 1
0.7562	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7561	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7561	Intermediate Similarity	NPD1243	Approved
0.756	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.756	Intermediate Similarity	NPD920	Approved
0.7541	Intermediate Similarity	NPD8150	Discontinued
0.7539	Intermediate Similarity	NPD7696	Phase 3
0.7539	Intermediate Similarity	NPD7697	Approved
0.7539	Intermediate Similarity	NPD7698	Approved
0.75	Intermediate Similarity	NPD7870	Phase 2
0.75	Intermediate Similarity	NPD3787	Discontinued
0.75	Intermediate Similarity	NPD8319	Approved
0.75	Intermediate Similarity	NPD8320	Phase 1
0.75	Intermediate Similarity	NPD7871	Phase 2
0.7487	Intermediate Similarity	NPD6823	Phase 2
0.7474	Intermediate Similarity	NPD7701	Phase 2
0.7459	Intermediate Similarity	NPD7240	Approved
0.7458	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7449	Intermediate Similarity	NPD7801	Approved
0.744	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.744	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7425	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7423	Intermediate Similarity	NPD7033	Discontinued
0.7423	Intermediate Similarity	NPD2799	Discontinued
0.7403	Intermediate Similarity	NPD5953	Discontinued
0.7394	Intermediate Similarity	NPD6535	Approved
0.7394	Intermediate Similarity	NPD6534	Approved
0.7389	Intermediate Similarity	NPD7286	Phase 2
0.7378	Intermediate Similarity	NPD2935	Discontinued
0.7368	Intermediate Similarity	NPD7699	Phase 2
0.7368	Intermediate Similarity	NPD3226	Approved
0.7368	Intermediate Similarity	NPD7700	Phase 2
0.7358	Intermediate Similarity	NPD6832	Phase 2
0.7349	Intermediate Similarity	NPD1652	Phase 2
0.7346	Intermediate Similarity	NPD230	Phase 1
0.7346	Intermediate Similarity	NPD1933	Approved
0.7342	Intermediate Similarity	NPD2798	Approved
0.7333	Intermediate Similarity	NPD7266	Discontinued
0.733	Intermediate Similarity	NPD919	Approved
0.7322	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7303	Intermediate Similarity	NPD5710	Approved
0.7303	Intermediate Similarity	NPD5711	Approved
0.7302	Intermediate Similarity	NPD4363	Phase 3
0.7302	Intermediate Similarity	NPD4360	Phase 2
0.7267	Intermediate Similarity	NPD2313	Discontinued
0.7267	Intermediate Similarity	NPD3268	Approved
0.7267	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7256	Intermediate Similarity	NPD7097	Phase 1
0.725	Intermediate Similarity	NPD4908	Phase 1
0.7244	Intermediate Similarity	NPD1091	Approved
0.7239	Intermediate Similarity	NPD6355	Discontinued
0.7229	Intermediate Similarity	NPD2346	Discontinued
0.7222	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.7212	Intermediate Similarity	NPD4308	Phase 3
0.7206	Intermediate Similarity	NPD8155	Clinical (unspecified phase)
0.7197	Intermediate Similarity	NPD9717	Approved
0.7184	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.717	Intermediate Similarity	NPD1203	Approved
0.717	Intermediate Similarity	NPD2797	Approved
0.7164	Intermediate Similarity	NPD7930	Approved
0.716	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7159	Intermediate Similarity	NPD4288	Approved
0.7152	Intermediate Similarity	NPD4749	Approved
0.7143	Intermediate Similarity	NPD7799	Discontinued
0.7143	Intermediate Similarity	NPD6674	Discontinued
0.7135	Intermediate Similarity	NPD5537	Clinical (unspecified phase)
0.7134	Intermediate Similarity	NPD447	Suspended
0.7134	Intermediate Similarity	NPD422	Phase 1
0.7127	Intermediate Similarity	NPD2403	Approved
0.7126	Intermediate Similarity	NPD2344	Approved
0.7076	Intermediate Similarity	NPD7390	Discontinued
0.7073	Intermediate Similarity	NPD1613	Approved
0.7073	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7072	Intermediate Similarity	NPD3926	Phase 2
0.7068	Intermediate Similarity	NPD6213	Phase 3
0.7068	Intermediate Similarity	NPD6214	Clinical (unspecified phase)
0.7068	Intermediate Similarity	NPD6212	Phase 3
0.7062	Intermediate Similarity	NPD7237	Clinical (unspecified phase)
0.7062	Intermediate Similarity	NPD5353	Approved
0.7059	Intermediate Similarity	NPD6190	Approved
0.7056	Intermediate Similarity	NPD1247	Approved
0.7056	Intermediate Similarity	NPD8127	Discontinued
0.7055	Intermediate Similarity	NPD6798	Discontinued
0.7025	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7025	Intermediate Similarity	NPD1610	Phase 2
0.7006	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD5761	Phase 2
0.7006	Intermediate Similarity	NPD5760	Phase 2
0.7	Intermediate Similarity	NPD4287	Approved
0.6994	Remote Similarity	NPD6273	Approved
0.6987	Remote Similarity	NPD9545	Approved
0.6982	Remote Similarity	NPD2424	Discontinued
0.6971	Remote Similarity	NPD5619	Clinical (unspecified phase)
0.697	Remote Similarity	NPD7966	Clinical (unspecified phase)

Structure

NPC294722 OpenBabel07101719252D 37 40 0 0 1 0 0 0 0 0999 V2000 0.8660 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 4.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 4.0000 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 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 2.5000 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 -0.8660 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 1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 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 3.4641 3.0000 0.0000 C 0 0 1 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 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 -0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 2 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 2 0 0 0 0 0 0 0 0 0 -0.0000 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 2 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 -0.8660 -0.5000 0.0000 C 0 0 2 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 -2.5981 4.5000 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 1.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -3.0000 0.0000 O 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 4.3301 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.5000 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 0.0000 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 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 12 1 0 0 0 0 2 26 1 0 0 0 0 3 26 1 0 0 0 0 4 6 1 0 0 0 0 4 13 2 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 7 14 1 0 0 0 0 8 12 2 0 0 0 0 8 16 1 0 0 0 0 9 15 2 0 0 0 0 9 17 1 0 0 0 0 10 15 1 0 0 0 0 10 18 2 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 13 24 1 0 0 0 0 14 26 1 1 0 0 0 15 36 1 0 0 0 0 16 20 1 0 0 0 0 16 27 2 0 0 0 0 17 20 2 0 0 0 0 17 28 1 0 0 0 0 18 20 1 0 0 0 0 18 35 1 0 0 0 0 19 11 1 6 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 21 22 1 0 0 0 0 21 29 1 1 0 0 0 22 23 1 0 0 0 0 22 30 1 6 0 0 0 23 25 1 0 0 0 0 23 31 1 1 0 0 0 24 32 2 0 0 0 0 24 34 1 0 0 0 0 25 36 1 6 0 0 0 25 37 1 0 0 0 0 26 33 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	10625791
ChEMBL	CHEMBL247486
ZINC

Physicochemical Properties

Molecular Weight:	520.19
ALogP:	-1.8821
MLogP:	3.11
XLogP:	0.614
# Rotatable Bonds:	15
Polar Surface Area:	172.21
# H-Bond Aceptor:	8
# H-Bond Donor:	5
# Rings:	4
# Heavy Atoms:	37

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