NPASS Natural Product

Natural Product: NPC476171

Natural Product ID:	NPC476171
Common Name:	(+/-)-4-Acetoxycannabichromene
IUPAC Name:	[5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-8-yl] acetate
Synonyms:
Molecular Formula:	C23H32O4
Standard InCHIKey:	ZIPSGGAAGYQIFR-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C23H32O4/c1-6-7-8-11-18-15-20(25)19-12-14-23(5,13-9-10-16(2)3)27-22(19)21(18)26-17(4)24/h10,12,14-15,25H,6-9,11,13H2,1-5H3
Canonical SMILES:	CCCCCc1cc(O)c2c(c1OC(=O)C)OC(C=C2)(C)CCC=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
NPO7513	Cannabis sativa	Species	Cannabaceae	Eukaryota				PMID[19344127]

Biological Activity

Activity Type	# Activity
IC50	3
Others	1

Activity Type	# Activity
Organism	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT633	Organism	Leishmania donovani	Leishmania donovani	IC50	=	40300	nM	20055495
NPT633	Organism	Leishmania donovani	Leishmania donovani	IC90	=	91300	nM	19459643
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	4000	nM	11908979
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	7200	nM	18278869

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 NPC476171 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	239
0.1-0.2	1187
0.2-0.3	2652
0.3-0.4	7257
0.4-0.5	6132
0.5-0.6	2645
0.6-0.7	5398
0.7-0.8	4793
0.8-0.85	471
0.85-0.9	101
0.9-0.95	13
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9545	High Similarity	NPC252095
0.9394	High Similarity	NPC474810
0.9308	High Similarity	NPC474616
0.9242	High Similarity	NPC142530
0.9242	High Similarity	NPC147317
0.9173	High Similarity	NPC474635
0.9167	High Similarity	NPC474617
0.9098	High Similarity	NPC82503
0.9084	High Similarity	NPC474821
0.9084	High Similarity	NPC474670
0.9071	High Similarity	NPC125617
0.9015	High Similarity	NPC474636
0.9008	High Similarity	NPC474632
0.9007	High Similarity	NPC475896
0.8993	High Similarity	NPC469564
0.8978	High Similarity	NPC105493
0.8978	High Similarity	NPC474530
0.8978	High Similarity	NPC474540
0.8978	High Similarity	NPC474521
0.8963	High Similarity	NPC269528
0.8944	High Similarity	NPC97937
0.8944	High Similarity	NPC170239
0.8944	High Similarity	NPC275125
0.8936	High Similarity	NPC292256
0.8929	High Similarity	NPC256555
0.8929	High Similarity	NPC7439
0.8929	High Similarity	NPC91492
0.8929	High Similarity	NPC110067
0.8929	High Similarity	NPC34245
0.8913	High Similarity	NPC43500
0.8913	High Similarity	NPC164148
0.8881	High Similarity	NPC220935
0.8864	High Similarity	NPC476006
0.8841	High Similarity	NPC139548
0.8841	High Similarity	NPC20511
0.8841	High Similarity	NPC95162
0.8841	High Similarity	NPC76336
0.8841	High Similarity	NPC148835
0.8841	High Similarity	NPC52086
0.8832	High Similarity	NPC255147
0.8832	High Similarity	NPC201357
0.8832	High Similarity	NPC281521
0.8824	High Similarity	NPC277021
0.8819	High Similarity	NPC113790
0.8794	High Similarity	NPC236419
0.8786	High Similarity	NPC300611
0.8777	High Similarity	NPC13067
0.8777	High Similarity	NPC19869
0.8768	High Similarity	NPC126682
0.8768	High Similarity	NPC286843
0.8768	High Similarity	NPC82271
0.8768	High Similarity	NPC476698
0.8759	High Similarity	NPC474600
0.875	High Similarity	NPC319969
0.8741	High Similarity	NPC205361
0.8741	High Similarity	NPC229231
0.8722	High Similarity	NPC112596
0.8712	High Similarity	NPC140521
0.8705	High Similarity	NPC38874
0.8696	High Similarity	NPC327382
0.8696	High Similarity	NPC234865
0.8696	High Similarity	NPC472521
0.8692	High Similarity	NPC218753
0.8686	High Similarity	NPC241341
0.8686	High Similarity	NPC37196
0.8686	High Similarity	NPC94236
0.8686	High Similarity	NPC233018
0.8686	High Similarity	NPC36437
0.8662	High Similarity	NPC230157
0.8647	High Similarity	NPC249836
0.8643	High Similarity	NPC270256
0.8623	High Similarity	NPC92830
0.8613	High Similarity	NPC161203
0.8613	High Similarity	NPC137669
0.8613	High Similarity	NPC137949
0.8603	High Similarity	NPC244799
0.8603	High Similarity	NPC240722
0.8601	High Similarity	NPC471763
0.8593	High Similarity	NPC266691
0.8593	High Similarity	NPC63179
0.8581	High Similarity	NPC476154
0.8571	High Similarity	NPC78446
0.8571	High Similarity	NPC474886
0.8562	High Similarity	NPC30688
0.8562	High Similarity	NPC176903
0.8561	High Similarity	NPC195022
0.8561	High Similarity	NPC302211
0.8561	High Similarity	NPC134968
0.8551	High Similarity	NPC26673
0.8551	High Similarity	NPC36661
0.8551	High Similarity	NPC472522
0.854	High Similarity	NPC73738
0.8538	High Similarity	NPC137294
0.8538	High Similarity	NPC85895
0.8531	High Similarity	NPC138212
0.8529	High Similarity	NPC158477
0.8529	High Similarity	NPC123127
0.8529	High Similarity	NPC27239
0.8523	High Similarity	NPC7178
0.8523	High Similarity	NPC62903
0.8521	High Similarity	NPC279851
0.8521	High Similarity	NPC472520
0.8519	High Similarity	NPC236760
0.8519	High Similarity	NPC216836
0.8507	High Similarity	NPC476254
0.8507	High Similarity	NPC131397
0.8503	High Similarity	NPC294522
0.8503	High Similarity	NPC21184
0.8503	High Similarity	NPC205727
0.8503	High Similarity	NPC120426
0.85	High Similarity	NPC472334
0.85	High Similarity	NPC471719
0.85	High Similarity	NPC173660
0.85	High Similarity	NPC167517
0.85	High Similarity	NPC472336
0.8493	Intermediate Similarity	NPC139839
0.8489	Intermediate Similarity	NPC309744
0.8489	Intermediate Similarity	NPC106215
0.8478	Intermediate Similarity	NPC245120
0.8467	Intermediate Similarity	NPC51840
0.8467	Intermediate Similarity	NPC224157
0.8467	Intermediate Similarity	NPC214860
0.8467	Intermediate Similarity	NPC474481
0.8467	Intermediate Similarity	NPC234488
0.8467	Intermediate Similarity	NPC142479
0.8467	Intermediate Similarity	NPC19242
0.8467	Intermediate Similarity	NPC155015
0.8467	Intermediate Similarity	NPC292385
0.8467	Intermediate Similarity	NPC192687
0.8467	Intermediate Similarity	NPC125709
0.8467	Intermediate Similarity	NPC311680
0.8467	Intermediate Similarity	NPC476399
0.8467	Intermediate Similarity	NPC299221
0.8462	Intermediate Similarity	NPC472335
0.8462	Intermediate Similarity	NPC472332
0.8456	Intermediate Similarity	NPC474623
0.8456	Intermediate Similarity	NPC474651
0.8444	Intermediate Similarity	NPC245060
0.844	Intermediate Similarity	NPC474282
0.844	Intermediate Similarity	NPC102904
0.844	Intermediate Similarity	NPC276490
0.844	Intermediate Similarity	NPC326797
0.844	Intermediate Similarity	NPC35550
0.844	Intermediate Similarity	NPC176051
0.844	Intermediate Similarity	NPC107551
0.844	Intermediate Similarity	NPC103976
0.8429	Intermediate Similarity	NPC261873
0.8429	Intermediate Similarity	NPC472337
0.8429	Intermediate Similarity	NPC224941
0.8429	Intermediate Similarity	NPC111655
0.8429	Intermediate Similarity	NPC311430
0.8429	Intermediate Similarity	NPC283009
0.8425	Intermediate Similarity	NPC178129
0.8425	Intermediate Similarity	NPC476347
0.8425	Intermediate Similarity	NPC231149
0.8425	Intermediate Similarity	NPC15577
0.8421	Intermediate Similarity	NPC246967
0.8421	Intermediate Similarity	NPC194626
0.8421	Intermediate Similarity	NPC474864
0.8421	Intermediate Similarity	NPC135414
0.8417	Intermediate Similarity	NPC229442
0.8417	Intermediate Similarity	NPC168059
0.8406	Intermediate Similarity	NPC469907
0.8403	Intermediate Similarity	NPC6568
0.8403	Intermediate Similarity	NPC477616
0.8394	Intermediate Similarity	NPC10225
0.8394	Intermediate Similarity	NPC45824
0.8394	Intermediate Similarity	NPC190144
0.8394	Intermediate Similarity	NPC58164
0.8389	Intermediate Similarity	NPC163598
0.8389	Intermediate Similarity	NPC264875
0.8389	Intermediate Similarity	NPC120774
0.8385	Intermediate Similarity	NPC471503
0.8385	Intermediate Similarity	NPC471498
0.8382	Intermediate Similarity	NPC50368
0.8382	Intermediate Similarity	NPC470699
0.838	Intermediate Similarity	NPC319647
0.838	Intermediate Similarity	NPC471388
0.838	Intermediate Similarity	NPC25966
0.838	Intermediate Similarity	NPC245207
0.838	Intermediate Similarity	NPC127218
0.837	Intermediate Similarity	NPC105925
0.8369	Intermediate Similarity	NPC227503
0.8369	Intermediate Similarity	NPC230734
0.8369	Intermediate Similarity	NPC474639
0.8367	Intermediate Similarity	NPC187398
0.8367	Intermediate Similarity	NPC476348
0.8357	Intermediate Similarity	NPC309953
0.8357	Intermediate Similarity	NPC103967
0.8357	Intermediate Similarity	NPC147030
0.8357	Intermediate Similarity	NPC111635
0.8356	Intermediate Similarity	NPC287275
0.8356	Intermediate Similarity	NPC475872
0.8346	Intermediate Similarity	NPC285289
0.8346	Intermediate Similarity	NPC75713
0.8346	Intermediate Similarity	NPC212965
0.8345	Intermediate Similarity	NPC202762
0.8345	Intermediate Similarity	NPC6451
0.8345	Intermediate Similarity	NPC86655
0.8345	Intermediate Similarity	NPC185127

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC476171 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	262
0.1-0.2	879
0.2-0.3	1698
0.3-0.4	2756
0.4-0.5	1777
0.5-0.6	1098
0.6-0.7	553
0.7-0.8	129
0.8-0.85	9
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8222	Intermediate Similarity	NPD4749	Approved
0.8209	Intermediate Similarity	NPD422	Phase 1
0.8188	Intermediate Similarity	NPD1653	Approved
0.8188	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.8116	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.8092	Intermediate Similarity	NPD6671	Approved
0.8082	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD4625	Phase 3
0.8	Intermediate Similarity	NPD3027	Phase 3
0.7958	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7958	Intermediate Similarity	NPD1613	Approved
0.7943	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7808	Intermediate Similarity	NPD6100	Approved
0.7808	Intermediate Similarity	NPD6099	Approved
0.7806	Intermediate Similarity	NPD2801	Approved
0.7778	Intermediate Similarity	NPD5844	Phase 1
0.777	Intermediate Similarity	NPD6696	Suspended
0.7737	Intermediate Similarity	NPD3496	Discontinued
0.7697	Intermediate Similarity	NPD1940	Clinical (unspecified phase)
0.7692	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7681	Intermediate Similarity	NPD1611	Approved
0.7655	Intermediate Similarity	NPD5124	Phase 1
0.7655	Intermediate Similarity	NPD447	Suspended
0.7655	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.759	Intermediate Similarity	NPD7549	Discontinued
0.7552	Intermediate Similarity	NPD4908	Phase 1
0.7536	Intermediate Similarity	NPD1778	Approved
0.7535	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7533	Intermediate Similarity	NPD1652	Phase 2
0.7532	Intermediate Similarity	NPD3817	Phase 2
0.7518	Intermediate Similarity	NPD1548	Phase 1
0.7516	Intermediate Similarity	NPD1934	Approved
0.7484	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7483	Intermediate Similarity	NPD3018	Phase 2
0.7469	Intermediate Similarity	NPD6232	Discontinued
0.7466	Intermediate Similarity	NPD4060	Phase 1
0.7465	Intermediate Similarity	NPD2797	Approved
0.7451	Intermediate Similarity	NPD1511	Approved
0.7451	Intermediate Similarity	NPD7837	Clinical (unspecified phase)
0.7448	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7445	Intermediate Similarity	NPD7644	Approved
0.7439	Intermediate Similarity	NPD7473	Discontinued
0.7429	Intermediate Similarity	NPD1610	Phase 2
0.7405	Intermediate Similarity	NPD37	Approved
0.74	Intermediate Similarity	NPD5762	Approved
0.74	Intermediate Similarity	NPD5763	Approved
0.7394	Intermediate Similarity	NPD3225	Approved
0.7391	Intermediate Similarity	NPD6234	Discontinued
0.7383	Intermediate Similarity	NPD4308	Phase 3
0.7379	Intermediate Similarity	NPD7095	Approved
0.7375	Intermediate Similarity	NPD4965	Approved
0.7375	Intermediate Similarity	NPD4966	Approved
0.7375	Intermediate Similarity	NPD4967	Phase 2
0.7372	Intermediate Similarity	NPD7340	Approved
0.7368	Intermediate Similarity	NPD4750	Phase 3
0.7368	Intermediate Similarity	NPD3750	Approved
0.7361	Intermediate Similarity	NPD2861	Phase 2
0.7358	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7358	Intermediate Similarity	NPD1465	Phase 2
0.7355	Intermediate Similarity	NPD1512	Approved
0.7333	Intermediate Similarity	NPD1551	Phase 2
0.7329	Intermediate Similarity	NPD7985	Registered
0.7329	Intermediate Similarity	NPD3268	Approved
0.7324	Intermediate Similarity	NPD2983	Phase 2
0.7324	Intermediate Similarity	NPD2982	Phase 2
0.7312	Intermediate Similarity	NPD5402	Approved
0.731	Intermediate Similarity	NPD1008	Clinical (unspecified phase)
0.7305	Intermediate Similarity	NPD1091	Approved
0.7301	Intermediate Similarity	NPD7199	Phase 2
0.7286	Intermediate Similarity	NPD4626	Approved
0.7279	Intermediate Similarity	NPD1398	Phase 1
0.7278	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD7033	Discontinued
0.7267	Intermediate Similarity	NPD3882	Suspended
0.7259	Intermediate Similarity	NPD228	Approved
0.7254	Intermediate Similarity	NPD1608	Approved
0.7254	Intermediate Similarity	NPD2981	Phase 2
0.7246	Intermediate Similarity	NPD7054	Approved
0.7241	Intermediate Similarity	NPD2237	Approved
0.7237	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD2935	Discontinued
0.7212	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7211	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7211	Intermediate Similarity	NPD1296	Phase 2
0.7206	Intermediate Similarity	NPD5535	Approved
0.7202	Intermediate Similarity	NPD7074	Phase 3
0.7202	Intermediate Similarity	NPD7472	Approved
0.719	Intermediate Similarity	NPD6674	Discontinued
0.7186	Intermediate Similarity	NPD3818	Discontinued
0.7186	Intermediate Similarity	NPD7228	Approved
0.7179	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7179	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7169	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7169	Intermediate Similarity	NPD6166	Phase 2
0.7169	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD5283	Phase 1
0.7152	Intermediate Similarity	NPD3687	Approved
0.7152	Intermediate Similarity	NPD3686	Approved
0.7143	Intermediate Similarity	NPD4110	Phase 3
0.7143	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7134	Intermediate Similarity	NPD7314	Clinical (unspecified phase)
0.7133	Intermediate Similarity	NPD6653	Approved
0.7117	Intermediate Similarity	NPD7075	Discontinued
0.7115	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7114	Intermediate Similarity	NPD4307	Phase 2
0.7105	Intermediate Similarity	NPD6032	Approved
0.7095	Intermediate Similarity	NPD411	Approved
0.7092	Intermediate Similarity	NPD5691	Approved
0.7083	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7076	Intermediate Similarity	NPD7808	Phase 3
0.7073	Intermediate Similarity	NPD919	Approved
0.707	Intermediate Similarity	NPD2532	Approved
0.707	Intermediate Similarity	NPD2534	Approved
0.707	Intermediate Similarity	NPD2533	Approved
0.7068	Intermediate Similarity	NPD9697	Approved
0.7067	Intermediate Similarity	NPD230	Phase 1
0.7067	Intermediate Similarity	NPD6355	Discontinued
0.7063	Intermediate Similarity	NPD1535	Discovery
0.7063	Intermediate Similarity	NPD6599	Discontinued
0.7063	Intermediate Similarity	NPD3705	Approved
0.7059	Intermediate Similarity	NPD7266	Discontinued
0.7047	Intermediate Similarity	NPD6233	Phase 2
0.7042	Intermediate Similarity	NPD17	Approved
0.7039	Intermediate Similarity	NPD3748	Approved
0.7037	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD7819	Suspended
0.7032	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7032	Intermediate Similarity	NPD4628	Phase 3
0.703	Intermediate Similarity	NPD5494	Approved
0.7019	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7018	Intermediate Similarity	NPD7251	Discontinued
0.7015	Intermediate Similarity	NPD968	Approved
0.7014	Intermediate Similarity	NPD9717	Approved
0.7014	Intermediate Similarity	NPD1481	Phase 2
0.7012	Intermediate Similarity	NPD7975	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD6799	Approved
0.7	Intermediate Similarity	NPD3226	Approved
0.7	Intermediate Similarity	NPD1558	Phase 1
0.6988	Remote Similarity	NPD8127	Discontinued
0.6987	Remote Similarity	NPD2219	Phase 1
0.6986	Remote Similarity	NPD3266	Approved
0.6986	Remote Similarity	NPD3267	Approved
0.6986	Remote Similarity	NPD1203	Approved
0.6981	Remote Similarity	NPD5403	Approved
0.6981	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.698	Remote Similarity	NPD6798	Discontinued
0.6974	Remote Similarity	NPD7097	Phase 1
0.697	Remote Similarity	NPD940	Approved
0.697	Remote Similarity	NPD846	Approved
0.6968	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.6963	Remote Similarity	NPD290	Approved
0.6962	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6962	Remote Similarity	NPD7447	Phase 1
0.6959	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6959	Remote Similarity	NPD6797	Phase 2
0.6957	Remote Similarity	NPD4675	Approved
0.6957	Remote Similarity	NPD7843	Approved
0.6957	Remote Similarity	NPD4678	Approved
0.6951	Remote Similarity	NPD7768	Phase 2
0.6948	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6948	Remote Similarity	NPD6004	Phase 3
0.6948	Remote Similarity	NPD6005	Phase 3
0.6948	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6948	Remote Similarity	NPD3540	Phase 1
0.6948	Remote Similarity	NPD1375	Discontinued
0.6948	Remote Similarity	NPD6002	Phase 3
0.6929	Remote Similarity	NPD7157	Approved
0.6928	Remote Similarity	NPD6746	Phase 2
0.6928	Remote Similarity	NPD5677	Discontinued
0.6923	Remote Similarity	NPD7982	Clinical (unspecified phase)
0.6919	Remote Similarity	NPD6559	Discontinued
0.6918	Remote Similarity	NPD8651	Approved
0.6918	Remote Similarity	NPD2676	Approved
0.6918	Remote Similarity	NPD2675	Approved
0.6912	Remote Similarity	NPD2684	Approved
0.6909	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6908	Remote Similarity	NPD2653	Approved
0.6908	Remote Similarity	NPD1607	Approved
0.6899	Remote Similarity	NPD4357	Discontinued
0.6887	Remote Similarity	NPD4140	Approved
0.6886	Remote Similarity	NPD1247	Approved
0.6883	Remote Similarity	NPD3539	Phase 1
0.6879	Remote Similarity	NPD5307	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD6190	Approved
0.6871	Remote Similarity	NPD6801	Discontinued
0.6867	Remote Similarity	NPD1048	Approved
0.6857	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6855	Remote Similarity	NPD5401	Approved
0.6853	Remote Similarity	NPD5585	Approved
0.6852	Remote Similarity	NPD4380	Phase 2
0.6846	Remote Similarity	NPD844	Approved
0.6846	Remote Similarity	NPD6832	Phase 2
0.6845	Remote Similarity	NPD7229	Phase 3
0.6842	Remote Similarity	NPD4340	Discontinued
0.6842	Remote Similarity	NPD1933	Approved
0.6839	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6839	Remote Similarity	NPD2346	Discontinued
0.6839	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6836	Remote Similarity	NPD8397	Clinical (unspecified phase)
0.6835	Remote Similarity	NPD6667	Approved

Structure

NPC476171 OpenBabel07101718192D 27 28 0 0 1 0 0 0 0 0999 V2000 -3.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 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 -4.3301 2.5000 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 -3.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 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 -0.0000 -2.0000 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 0.8660 -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 3.8660 -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 -2.5981 -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 -1.7321 -2.0000 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 -0.8660 -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 3 0 0 0 0 0 0 0 0 0 -0.8660 2.5000 0.0000 O 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 -1.7321 1.0000 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 6 1 0 0 0 0 2 16 1 0 0 0 0 3 16 1 0 0 0 0 4 17 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 16 2 0 0 0 0 11 18 1 0 0 0 0 12 14 2 0 0 0 0 12 19 1 0 0 0 0 13 23 1 0 0 0 0 14 23 1 0 0 0 0 15 18 2 0 0 0 0 15 20 1 0 0 0 0 17 24 2 0 0 0 0 17 26 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 25 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 27 1 0 0 0 0 23 27 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	44139609
ChEMBL	CHEMBL550550
ZINC

Physicochemical Properties

Molecular Weight:	372.23
ALogP:	1.2439
MLogP:	3.55
XLogP:	6.151
# Rotatable Bonds:	15
Polar Surface Area:	55.76
# H-Bond Aceptor:	1
# H-Bond Donor:	1
# Rings:	2
# Heavy Atoms:	27

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