NPASS Natural Product

Natural Product: NPC470757

Natural Product ID:	NPC470757
Common Name:	Methyl 12-O-Methylcarnosoate
IUPAC Name:	methyl (4aR,10aS)-5-hydroxy-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate
Synonyms:	Methyl 12-O-Methylcarnosoate
Molecular Formula:	C22H32O4
Standard InCHIKey:	FNUGEBYFFAEPRS-KSFYIVLOSA-N
Standard InCHI:	InChI=1S/C22H32O4/c1-13(2)15-12-14-8-9-16-21(3,4)10-7-11-22(16,20(24)26-6)17(14)18(23)19(15)25-5/h12-13,16,23H,7-11H2,1-6H3/t16-,22+/m0/s1
Canonical SMILES:	COC(=O)[C@@]12CCCC([C@@H]2CCc2c1c(O)c(c(c2)C(C)C)OC)(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
NPO23470	Orthosiphon labiatus	Species	Lamiaceae	Eukaryota				PMID[17256988]
NPO32827	salvia africana-lutea	Species	Lamiaceae	Eukaryota				PMID[17256988]

Biological Activity

Activity Type	# Activity
IC50	1
MIC	1

Activity Type	# Activity
Cell Line	1
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	28000	nM	18712933
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	69000	nM	7069725

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 NPC470757 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	264
0.1-0.2	1106
0.2-0.3	2053
0.3-0.4	4075
0.4-0.5	7060
0.5-0.6	4580
0.6-0.7	5131
0.7-0.8	6188
0.8-0.85	388
0.85-0.9	32
0.9-0.95	11
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9929	High Similarity	NPC58752
0.9452	High Similarity	NPC124842
0.9324	High Similarity	NPC62051
0.9247	High Similarity	NPC471852
0.9241	High Similarity	NPC246229
0.9241	High Similarity	NPC191899
0.911	High Similarity	NPC474991
0.9071	High Similarity	NPC293454
0.9054	High Similarity	NPC303989
0.9048	High Similarity	NPC127046
0.9041	High Similarity	NPC75295
0.9041	High Similarity	NPC84786
0.8973	High Similarity	NPC196941
0.8973	High Similarity	NPC309169
0.8973	High Similarity	NPC126707
0.8936	High Similarity	NPC213122
0.8919	High Similarity	NPC52692
0.8912	High Similarity	NPC258856
0.8811	High Similarity	NPC68292
0.88	High Similarity	NPC142654
0.8766	High Similarity	NPC167098
0.8766	High Similarity	NPC296044
0.8733	High Similarity	NPC474306
0.8733	High Similarity	NPC475848
0.8699	High Similarity	NPC3218
0.8675	High Similarity	NPC474305
0.8654	High Similarity	NPC185617
0.8654	High Similarity	NPC21046
0.8645	High Similarity	NPC143328
0.8643	High Similarity	NPC201069
0.8639	High Similarity	NPC2681
0.8639	High Similarity	NPC272907
0.8608	High Similarity	NPC25889
0.8601	High Similarity	NPC227719
0.8571	High Similarity	NPC29599
0.8562	High Similarity	NPC75377
0.8562	High Similarity	NPC473201
0.8562	High Similarity	NPC302783
0.8544	High Similarity	NPC144843
0.8533	High Similarity	NPC225351
0.8523	High Similarity	NPC50954
0.8506	High Similarity	NPC65591
0.8506	High Similarity	NPC178574
0.85	High Similarity	NPC200726
0.8497	Intermediate Similarity	NPC31132
0.8483	Intermediate Similarity	NPC152209
0.8483	Intermediate Similarity	NPC252343
0.8477	Intermediate Similarity	NPC169682
0.8476	Intermediate Similarity	NPC475054
0.8467	Intermediate Similarity	NPC260152
0.8462	Intermediate Similarity	NPC258073
0.8462	Intermediate Similarity	NPC291001
0.8462	Intermediate Similarity	NPC109765
0.8462	Intermediate Similarity	NPC312341
0.8456	Intermediate Similarity	NPC169214
0.8456	Intermediate Similarity	NPC176030
0.8456	Intermediate Similarity	NPC229218
0.8456	Intermediate Similarity	NPC11314
0.8456	Intermediate Similarity	NPC192597
0.8456	Intermediate Similarity	NPC141817
0.8452	Intermediate Similarity	NPC273248
0.8447	Intermediate Similarity	NPC177362
0.8446	Intermediate Similarity	NPC471853
0.8446	Intermediate Similarity	NPC475907
0.8418	Intermediate Similarity	NPC47623
0.8418	Intermediate Similarity	NPC141574
0.8408	Intermediate Similarity	NPC202495
0.8408	Intermediate Similarity	NPC199463
0.8408	Intermediate Similarity	NPC37543
0.8403	Intermediate Similarity	NPC228843
0.84	Intermediate Similarity	NPC469615
0.8395	Intermediate Similarity	NPC202428
0.8395	Intermediate Similarity	NPC266545
0.8387	Intermediate Similarity	NPC180388
0.8387	Intermediate Similarity	NPC161778
0.8385	Intermediate Similarity	NPC263212
0.8377	Intermediate Similarity	NPC50269
0.8375	Intermediate Similarity	NPC100420
0.8354	Intermediate Similarity	NPC45846
0.8345	Intermediate Similarity	NPC476282
0.8345	Intermediate Similarity	NPC49742
0.8344	Intermediate Similarity	NPC469683
0.8344	Intermediate Similarity	NPC14561
0.8344	Intermediate Similarity	NPC5379
0.8344	Intermediate Similarity	NPC472803
0.8344	Intermediate Similarity	NPC77807
0.8344	Intermediate Similarity	NPC275278
0.8333	Intermediate Similarity	NPC184935
0.8323	Intermediate Similarity	NPC78505
0.8323	Intermediate Similarity	NPC70320
0.8312	Intermediate Similarity	NPC261322
0.8312	Intermediate Similarity	NPC300983
0.8311	Intermediate Similarity	NPC132723
0.8311	Intermediate Similarity	NPC76032
0.831	Intermediate Similarity	NPC281020
0.8302	Intermediate Similarity	NPC84571
0.8301	Intermediate Similarity	NPC303013
0.8301	Intermediate Similarity	NPC474795
0.8301	Intermediate Similarity	NPC77598
0.8301	Intermediate Similarity	NPC159697
0.8301	Intermediate Similarity	NPC130959
0.8301	Intermediate Similarity	NPC474940
0.8293	Intermediate Similarity	NPC158226
0.8291	Intermediate Similarity	NPC115281
0.8291	Intermediate Similarity	NPC178976
0.8291	Intermediate Similarity	NPC181168
0.8291	Intermediate Similarity	NPC163527
0.8291	Intermediate Similarity	NPC302258
0.8288	Intermediate Similarity	NPC27394
0.8282	Intermediate Similarity	NPC163130
0.8282	Intermediate Similarity	NPC165979
0.8278	Intermediate Similarity	NPC224884
0.8278	Intermediate Similarity	NPC209085
0.8269	Intermediate Similarity	NPC164912
0.8269	Intermediate Similarity	NPC218628
0.8269	Intermediate Similarity	NPC137125
0.8269	Intermediate Similarity	NPC295646
0.8269	Intermediate Similarity	NPC3744
0.8261	Intermediate Similarity	NPC236132
0.8261	Intermediate Similarity	NPC477689
0.8261	Intermediate Similarity	NPC134047
0.8261	Intermediate Similarity	NPC223006
0.8261	Intermediate Similarity	NPC173729
0.8261	Intermediate Similarity	NPC272750
0.8258	Intermediate Similarity	NPC475454
0.8258	Intermediate Similarity	NPC475311
0.8258	Intermediate Similarity	NPC118033
0.8258	Intermediate Similarity	NPC473579
0.8258	Intermediate Similarity	NPC473680
0.825	Intermediate Similarity	NPC469889
0.825	Intermediate Similarity	NPC311740
0.8247	Intermediate Similarity	NPC181452
0.8247	Intermediate Similarity	NPC220006
0.8243	Intermediate Similarity	NPC470722
0.8243	Intermediate Similarity	NPC470721
0.8243	Intermediate Similarity	NPC156888
0.8243	Intermediate Similarity	NPC6100
0.8239	Intermediate Similarity	NPC470339
0.8239	Intermediate Similarity	NPC315157
0.8235	Intermediate Similarity	NPC39361
0.8232	Intermediate Similarity	NPC124470
0.8232	Intermediate Similarity	NPC109827
0.8231	Intermediate Similarity	NPC113295
0.8228	Intermediate Similarity	NPC165483
0.8228	Intermediate Similarity	NPC470762
0.8228	Intermediate Similarity	NPC474167
0.8224	Intermediate Similarity	NPC113397
0.8224	Intermediate Similarity	NPC471305
0.8219	Intermediate Similarity	NPC239855
0.8219	Intermediate Similarity	NPC111845
0.8217	Intermediate Similarity	NPC107109
0.8217	Intermediate Similarity	NPC103197
0.8217	Intermediate Similarity	NPC30009
0.8212	Intermediate Similarity	NPC248068
0.8212	Intermediate Similarity	NPC314271
0.8212	Intermediate Similarity	NPC201297
0.821	Intermediate Similarity	NPC26386
0.8207	Intermediate Similarity	NPC243305
0.8205	Intermediate Similarity	NPC144283
0.8205	Intermediate Similarity	NPC118332
0.8205	Intermediate Similarity	NPC475579
0.8205	Intermediate Similarity	NPC272566
0.8205	Intermediate Similarity	NPC118427
0.8205	Intermediate Similarity	NPC473773
0.8205	Intermediate Similarity	NPC306011
0.8205	Intermediate Similarity	NPC472838
0.8205	Intermediate Similarity	NPC267091
0.82	Intermediate Similarity	NPC19158
0.82	Intermediate Similarity	NPC100675
0.8199	Intermediate Similarity	NPC116838
0.8199	Intermediate Similarity	NPC144557
0.8199	Intermediate Similarity	NPC22130
0.8194	Intermediate Similarity	NPC237441
0.8194	Intermediate Similarity	NPC206028
0.8194	Intermediate Similarity	NPC183380
0.8188	Intermediate Similarity	NPC230811
0.8187	Intermediate Similarity	NPC155302
0.8187	Intermediate Similarity	NPC161947
0.8187	Intermediate Similarity	NPC268718
0.8187	Intermediate Similarity	NPC150943
0.8187	Intermediate Similarity	NPC472055
0.8187	Intermediate Similarity	NPC24627
0.8187	Intermediate Similarity	NPC91634
0.8182	Intermediate Similarity	NPC290902
0.8182	Intermediate Similarity	NPC117788
0.8182	Intermediate Similarity	NPC291326
0.8182	Intermediate Similarity	NPC474856
0.8182	Intermediate Similarity	NPC474834
0.8176	Intermediate Similarity	NPC268602
0.8176	Intermediate Similarity	NPC326847
0.8171	Intermediate Similarity	NPC49487
0.8171	Intermediate Similarity	NPC117911
0.8171	Intermediate Similarity	NPC99613
0.817	Intermediate Similarity	NPC470038
0.817	Intermediate Similarity	NPC160777
0.817	Intermediate Similarity	NPC73416
0.8165	Intermediate Similarity	NPC16082
0.8165	Intermediate Similarity	NPC82592
0.8165	Intermediate Similarity	NPC16286
0.8163	Intermediate Similarity	NPC176814

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC470757 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	289
0.1-0.2	895
0.2-0.3	1508
0.3-0.4	2506
0.4-0.5	2062
0.5-0.6	1125
0.6-0.7	604
0.7-0.8	164
0.8-0.85	7
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.85	High Similarity	NPD7473	Discontinued
0.8428	Intermediate Similarity	NPD6232	Discontinued
0.8239	Intermediate Similarity	NPD6234	Discontinued
0.8153	Intermediate Similarity	NPD37	Approved
0.8	Intermediate Similarity	NPD4967	Phase 2
0.8	Intermediate Similarity	NPD4966	Approved
0.8	Intermediate Similarity	NPD7228	Approved
0.8	Intermediate Similarity	NPD4965	Approved
0.7952	Intermediate Similarity	NPD5844	Phase 1
0.7907	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7888	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7871	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7848	Intermediate Similarity	NPD7458	Discontinued
0.7847	Intermediate Similarity	NPD1283	Approved
0.7836	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7821	Intermediate Similarity	NPD2533	Approved
0.7821	Intermediate Similarity	NPD2532	Approved
0.7821	Intermediate Similarity	NPD2534	Approved
0.7792	Intermediate Similarity	NPD4628	Phase 3
0.7792	Intermediate Similarity	NPD8166	Discontinued
0.7792	Intermediate Similarity	NPD7003	Approved
0.7785	Intermediate Similarity	NPD3620	Phase 2
0.7785	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7764	Intermediate Similarity	NPD1465	Phase 2
0.7763	Intermediate Similarity	NPD6099	Approved
0.7763	Intermediate Similarity	NPD6100	Approved
0.7727	Intermediate Similarity	NPD6674	Discontinued
0.7707	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7707	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7697	Intermediate Similarity	NPD8127	Discontinued
0.7697	Intermediate Similarity	NPD7199	Phase 2
0.7677	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7667	Intermediate Similarity	NPD4060	Phase 1
0.7654	Intermediate Similarity	NPD2801	Approved
0.7654	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7639	Intermediate Similarity	NPD1281	Approved
0.7625	Intermediate Similarity	NPD3226	Approved
0.7605	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7593	Intermediate Similarity	NPD1934	Approved
0.7564	Intermediate Similarity	NPD4110	Phase 3
0.7564	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.755	Intermediate Similarity	NPD2979	Phase 3
0.7548	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD4626	Approved
0.75	Intermediate Similarity	NPD7240	Approved
0.75	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7484	Intermediate Similarity	NPD2346	Discontinued
0.7483	Intermediate Similarity	NPD8032	Phase 2
0.7471	Intermediate Similarity	NPD7090	Clinical (unspecified phase)
0.7467	Intermediate Similarity	NPD7095	Approved
0.7466	Intermediate Similarity	NPD1608	Approved
0.744	Intermediate Similarity	NPD7229	Phase 3
0.7439	Intermediate Similarity	NPD7819	Suspended
0.7419	Intermediate Similarity	NPD2935	Discontinued
0.7419	Intermediate Similarity	NPD2438	Suspended
0.7405	Intermediate Similarity	NPD6190	Approved
0.7394	Intermediate Similarity	NPD3817	Phase 2
0.7386	Intermediate Similarity	NPD6355	Discontinued
0.7386	Intermediate Similarity	NPD230	Phase 1
0.7368	Intermediate Similarity	NPD6663	Approved
0.7353	Intermediate Similarity	NPD6166	Phase 2
0.7353	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7353	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7351	Intermediate Similarity	NPD3027	Phase 3
0.7349	Intermediate Similarity	NPD3882	Suspended
0.7341	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD9494	Approved
0.7333	Intermediate Similarity	NPD5736	Approved
0.7318	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7314	Intermediate Similarity	NPD8312	Approved
0.7314	Intermediate Similarity	NPD8313	Approved
0.7312	Intermediate Similarity	NPD1511	Approved
0.731	Intermediate Similarity	NPD1651	Approved
0.7305	Intermediate Similarity	NPD7075	Discontinued
0.7303	Intermediate Similarity	NPD7985	Registered
0.7303	Intermediate Similarity	NPD6798	Discontinued
0.7303	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7299	Intermediate Similarity	NPD7685	Pre-registration
0.7297	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7284	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7283	Intermediate Similarity	NPD7074	Phase 3
0.7278	Intermediate Similarity	NPD6959	Discontinued
0.7267	Intermediate Similarity	NPD3818	Discontinued
0.7261	Intermediate Similarity	NPD5763	Approved
0.7261	Intermediate Similarity	NPD5762	Approved
0.726	Intermediate Similarity	NPD17	Approved
0.726	Intermediate Similarity	NPD3019	Approved
0.726	Intermediate Similarity	NPD1778	Approved
0.7256	Intermediate Similarity	NPD6599	Discontinued
0.7256	Intermediate Similarity	NPD7028	Phase 2
0.7248	Intermediate Similarity	NPD6696	Suspended
0.7235	Intermediate Similarity	NPD5710	Approved
0.7235	Intermediate Similarity	NPD5711	Approved
0.7229	Intermediate Similarity	NPD8455	Phase 2
0.7229	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7225	Intermediate Similarity	NPD7054	Approved
0.7222	Intermediate Similarity	NPD6273	Approved
0.7222	Intermediate Similarity	NPD1512	Approved
0.7219	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD5494	Approved
0.7216	Intermediate Similarity	NPD3534	Clinical (unspecified phase)
0.7208	Intermediate Similarity	NPD4140	Approved
0.7197	Intermediate Similarity	NPD5408	Approved
0.7197	Intermediate Similarity	NPD2531	Phase 2
0.7197	Intermediate Similarity	NPD5404	Approved
0.7197	Intermediate Similarity	NPD5406	Approved
0.7197	Intermediate Similarity	NPD5405	Approved
0.7195	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7192	Intermediate Similarity	NPD5691	Approved
0.7191	Intermediate Similarity	NPD8150	Discontinued
0.719	Intermediate Similarity	NPD3764	Approved
0.719	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7184	Intermediate Similarity	NPD7472	Approved
0.7181	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7174	Intermediate Similarity	NPD7237	Clinical (unspecified phase)
0.7171	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7167	Intermediate Similarity	NPD2490	Approved
0.7167	Intermediate Similarity	NPD2488	Approved
0.716	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7159	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD4380	Phase 2
0.7143	Intermediate Similarity	NPD2932	Approved
0.7134	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7134	Intermediate Similarity	NPD2799	Discontinued
0.7133	Intermediate Similarity	NPD5283	Phase 1
0.7125	Intermediate Similarity	NPD3750	Approved
0.7115	Intermediate Similarity	NPD4097	Suspended
0.7115	Intermediate Similarity	NPD6651	Approved
0.7113	Intermediate Similarity	NPD228	Approved
0.7108	Intermediate Similarity	NPD6386	Approved
0.7108	Intermediate Similarity	NPD6385	Approved
0.7108	Intermediate Similarity	NPD6873	Phase 2
0.7097	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD2494	Approved
0.7097	Intermediate Similarity	NPD2493	Approved
0.7097	Intermediate Similarity	NPD1613	Approved
0.7095	Intermediate Similarity	NPD8434	Phase 2
0.7089	Intermediate Similarity	NPD4477	Approved
0.7089	Intermediate Similarity	NPD4476	Approved
0.7083	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7078	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7074	Intermediate Similarity	NPD4583	Approved
0.7074	Intermediate Similarity	NPD4582	Approved
0.707	Intermediate Similarity	NPD7097	Phase 1
0.7069	Intermediate Similarity	NPD7177	Discontinued
0.7063	Intermediate Similarity	NPD2800	Approved
0.7063	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7051	Intermediate Similarity	NPD5735	Approved
0.7051	Intermediate Similarity	NPD3657	Discovery
0.7051	Intermediate Similarity	NPD447	Suspended
0.7047	Intermediate Similarity	NPD3705	Approved
0.7044	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7044	Intermediate Similarity	NPD6002	Phase 3
0.7044	Intermediate Similarity	NPD6004	Phase 3
0.7044	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7044	Intermediate Similarity	NPD6005	Phase 3
0.7041	Intermediate Similarity	NPD7768	Phase 2
0.7032	Intermediate Similarity	NPD6233	Phase 2
0.7021	Intermediate Similarity	NPD4004	Approved
0.7021	Intermediate Similarity	NPD4002	Approved
0.7021	Intermediate Similarity	NPD7680	Approved
0.702	Intermediate Similarity	NPD8651	Approved
0.7013	Intermediate Similarity	NPD5952	Clinical (unspecified phase)
0.7013	Intermediate Similarity	NPD4625	Phase 3
0.7006	Intermediate Similarity	NPD7411	Suspended
0.7006	Intermediate Similarity	NPD7251	Discontinued
0.7006	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD1607	Approved
0.7005	Intermediate Similarity	NPD3452	Approved
0.7005	Intermediate Similarity	NPD3450	Approved
0.7	Intermediate Similarity	NPD3972	Approved
0.6994	Remote Similarity	NPD7390	Discontinued
0.6974	Remote Similarity	NPD2797	Approved
0.6968	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6968	Remote Similarity	NPD2313	Discontinued
0.6968	Remote Similarity	NPD3268	Approved
0.6966	Remote Similarity	NPD7808	Phase 3
0.6964	Remote Similarity	NPD6801	Discontinued
0.6951	Remote Similarity	NPD4160	Clinical (unspecified phase)
0.6951	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6949	Remote Similarity	NPD6797	Phase 2
0.6937	Remote Similarity	NPD7266	Discontinued
0.6936	Remote Similarity	NPD3787	Discontinued
0.6933	Remote Similarity	NPD1611	Approved
0.6931	Remote Similarity	NPD7435	Discontinued
0.6928	Remote Similarity	NPD4624	Approved
0.6927	Remote Similarity	NPD8151	Discontinued
0.6918	Remote Similarity	NPD7033	Discontinued
0.6918	Remote Similarity	NPD1510	Phase 2
0.691	Remote Similarity	NPD6559	Discontinued
0.6901	Remote Similarity	NPD3749	Approved
0.689	Remote Similarity	NPD6799	Approved
0.6887	Remote Similarity	NPD9269	Phase 2
0.6883	Remote Similarity	NPD2861	Phase 2
0.6882	Remote Similarity	NPD2974	Approved
0.6882	Remote Similarity	NPD5353	Approved
0.6882	Remote Similarity	NPD2973	Approved
0.6882	Remote Similarity	NPD2975	Approved
0.6879	Remote Similarity	NPD1240	Approved

Structure

NPC470757 OpenBabel07101719132D 26 28 0 0 1 0 0 0 0 0999 V2000 -0.8660 -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 5.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 -0.3660 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 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.0000 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 3.4641 -1.0000 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 0.8660 -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 -1.0000 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 3.4641 -0.0000 0.0000 C 0 0 1 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 0.0000 -0.0000 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 4.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 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 1 13 1 0 0 0 0 2 13 1 0 0 0 0 3 21 1 0 0 0 0 4 21 1 0 0 0 0 5 25 1 0 0 0 0 6 26 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 16 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 15 19 2 0 0 0 0 16 21 1 0 0 0 0 16 22 1 6 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 25 1 0 0 0 0 20 24 2 0 0 0 0 20 26 1 0 0 0 0 22 20 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	16663298
ChEMBL	CHEMBL221380
ZINC

Physicochemical Properties

Molecular Weight:	360.23
ALogP:	0.6403
MLogP:	3.44
XLogP:	5.594
# Rotatable Bonds:	11
Polar Surface Area:	55.76
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	26

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