NPASS Natural Product

Natural Product: NPC158542

Natural Product ID:	NPC158542
Common Name:	Phomoarcherin B
IUPAC Name:
Synonyms:	Phomoarcherin B
Molecular Formula:	C23H28O5
Standard InCHIKey:	YHFZNBXTQFHWGR-TXKCWOHGSA-N
Standard InCHI:	InChI=1S/C23H28O5/c1-21(2)16-5-8-23(4)17(22(16,3)7-6-18(21)25)10-13-15(24)9-12-14(19(13)28-23)11-27-20(12)26/h9,16-17,24H,5-8,10-11H2,1-4H3/t16-,17+,22-,23-/m0/s1
Canonical SMILES:	Oc1cc2C(=O)OCc2c2c1C[C@H]1[C@](O2)(C)CC[C@@H]2[C@]1(C)CCC(=O)C2(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
NPO16660	Phomopsis archeri	Species	Valsaceae	Eukaryota	mycelium			PMID[21341709]

Biological Activity

Activity Type	# Activity
IC50	7
MIC	1

Activity Type	# Activity
Cell Line	1
Organism	2
Others	5

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT485	Organism	Plasmodium falciparum (isolate K1 / Thailand)	Plasmodium falciparum K1	IC50	=	0.79	ug/ml	21341709
NPT115	Organism	Mycobacterium tuberculosis H37Ra	Mycobacterium tuberculosis H37Ra	MIC	=	50	ug/ml	21341709
NPT2	Others	Unspecified		IC50	=	8	ug/ml	21341709
NPT2	Others	Unspecified		IC50	=	0.1	ug/ml	21341709
NPT2	Others	Unspecified		IC50	=	2	ug/ml	21341709
NPT2	Others	Unspecified		IC50	>	20	ug/ml	21341709
NPT2	Others	Unspecified		IC50	=	5	ug/ml	21341709
NPT91	Cell Line	KB	Homo sapiens	IC50	=	9.4	ug/ml	21341709

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 NPC158542 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	1167
0.2-0.3	2051
0.3-0.4	4122
0.4-0.5	7437
0.5-0.6	4401
0.6-0.7	3677
0.7-0.8	6394
0.8-0.85	1254
0.85-0.9	118
0.9-0.95	1
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
0.9801	High Similarity	NPC239118
0.9801	High Similarity	NPC4950
0.9542	High Similarity	NPC218818
0.9062	High Similarity	NPC125465
0.8994	High Similarity	NPC473022
0.8981	High Similarity	NPC272196
0.8938	High Similarity	NPC100849
0.8924	High Similarity	NPC226287
0.8917	High Similarity	NPC4547
0.891	High Similarity	NPC477669
0.8903	High Similarity	NPC477673
0.8903	High Similarity	NPC477672
0.8868	High Similarity	NPC472618
0.8841	High Similarity	NPC472620
0.8805	High Similarity	NPC472617
0.8797	High Similarity	NPC477674
0.879	High Similarity	NPC472799
0.8782	High Similarity	NPC149085
0.8773	High Similarity	NPC472622
0.8765	High Similarity	NPC314653
0.8765	High Similarity	NPC316262
0.8758	High Similarity	NPC471608
0.875	High Similarity	NPC470810
0.875	High Similarity	NPC3732
0.8742	High Similarity	NPC123153
0.8742	High Similarity	NPC196448
0.8735	High Similarity	NPC294149
0.8734	High Similarity	NPC477671
0.8734	High Similarity	NPC477687
0.8726	High Similarity	NPC271681
0.8726	High Similarity	NPC154683
0.8726	High Similarity	NPC40356
0.8726	High Similarity	NPC217447
0.872	High Similarity	NPC472619
0.8718	High Similarity	NPC13282
0.8718	High Similarity	NPC150928
0.8712	High Similarity	NPC472621
0.871	High Similarity	NPC146388
0.8688	High Similarity	NPC472299
0.8688	High Similarity	NPC186113
0.8683	High Similarity	NPC324220
0.8683	High Similarity	NPC312630
0.8683	High Similarity	NPC472661
0.8679	High Similarity	NPC146211
0.8679	High Similarity	NPC477675
0.8671	High Similarity	NPC135522
0.8667	High Similarity	NPC477573
0.8667	High Similarity	NPC477571
0.8667	High Similarity	NPC477572
0.8662	High Similarity	NPC478148
0.8662	High Similarity	NPC473131
0.8662	High Similarity	NPC476452
0.8662	High Similarity	NPC149526
0.8662	High Similarity	NPC474417
0.8662	High Similarity	NPC39819
0.8662	High Similarity	NPC470675
0.8662	High Similarity	NPC305965
0.8659	High Similarity	NPC76647
0.8654	High Similarity	NPC70764
0.8645	High Similarity	NPC66991
0.8642	High Similarity	NPC475106
0.8642	High Similarity	NPC473961
0.8636	High Similarity	NPC470673
0.8636	High Similarity	NPC117716
0.8636	High Similarity	NPC470674
0.8634	High Similarity	NPC313368
0.8608	High Similarity	NPC273483
0.8608	High Similarity	NPC477690
0.8608	High Similarity	NPC87708
0.8608	High Similarity	NPC44606
0.8599	High Similarity	NPC158866
0.8599	High Similarity	NPC477676
0.8599	High Similarity	NPC119929
0.8599	High Similarity	NPC202595
0.8599	High Similarity	NPC225854
0.8598	High Similarity	NPC255787
0.8589	High Similarity	NPC308156
0.8588	High Similarity	NPC475656
0.8588	High Similarity	NPC475148
0.8581	High Similarity	NPC473132
0.8581	High Similarity	NPC286038
0.8581	High Similarity	NPC470676
0.8581	High Similarity	NPC473135
0.8571	High Similarity	NPC474373
0.8571	High Similarity	NPC477692
0.8571	High Similarity	NPC470339
0.8571	High Similarity	NPC475233
0.8571	High Similarity	NPC295696
0.8571	High Similarity	NPC471451
0.8571	High Similarity	NPC71739
0.8562	High Similarity	NPC180924
0.8554	High Similarity	NPC315306
0.8554	High Similarity	NPC241874
0.8554	High Similarity	NPC313717
0.8553	High Similarity	NPC477691
0.8553	High Similarity	NPC329844
0.8544	High Similarity	NPC48671
0.8544	High Similarity	NPC232645
0.8544	High Similarity	NPC72958
0.8535	High Similarity	NPC471114
0.8535	High Similarity	NPC146014
0.8535	High Similarity	NPC233267
0.8535	High Similarity	NPC291049
0.8528	High Similarity	NPC477528
0.8528	High Similarity	NPC472402
0.8528	High Similarity	NPC15374
0.8526	High Similarity	NPC17101
0.8526	High Similarity	NPC142863
0.8526	High Similarity	NPC137296
0.8526	High Similarity	NPC77903
0.8526	High Similarity	NPC71055
0.8526	High Similarity	NPC150215
0.8519	High Similarity	NPC472055
0.8516	High Similarity	NPC75694
0.8512	High Similarity	NPC68381
0.8509	High Similarity	NPC212967
0.8509	High Similarity	NPC44199
0.8509	High Similarity	NPC263483
0.8509	High Similarity	NPC246647
0.8509	High Similarity	NPC164110
0.8509	High Similarity	NPC96342
0.8503	High Similarity	NPC118128
0.8491	Intermediate Similarity	NPC281272
0.8491	Intermediate Similarity	NPC180944
0.8485	Intermediate Similarity	NPC30027
0.8485	Intermediate Similarity	NPC291742
0.8485	Intermediate Similarity	NPC477835
0.8481	Intermediate Similarity	NPC471115
0.8481	Intermediate Similarity	NPC470107
0.8481	Intermediate Similarity	NPC29777
0.8481	Intermediate Similarity	NPC474660
0.8481	Intermediate Similarity	NPC147735
0.8481	Intermediate Similarity	NPC470568
0.8476	Intermediate Similarity	NPC159508
0.8471	Intermediate Similarity	NPC105415
0.8471	Intermediate Similarity	NPC39195
0.8471	Intermediate Similarity	NPC95526
0.8471	Intermediate Similarity	NPC172329
0.8471	Intermediate Similarity	NPC2569
0.8471	Intermediate Similarity	NPC37139
0.8471	Intermediate Similarity	NPC473785
0.8466	Intermediate Similarity	NPC18380
0.8466	Intermediate Similarity	NPC137232
0.8466	Intermediate Similarity	NPC92589
0.8466	Intermediate Similarity	NPC117985
0.8462	Intermediate Similarity	NPC469758
0.8452	Intermediate Similarity	NPC98776
0.8452	Intermediate Similarity	NPC260152
0.8443	Intermediate Similarity	NPC313304
0.8443	Intermediate Similarity	NPC298778
0.8438	Intermediate Similarity	NPC178964
0.8438	Intermediate Similarity	NPC280530
0.8438	Intermediate Similarity	NPC169990
0.8438	Intermediate Similarity	NPC95842
0.8438	Intermediate Similarity	NPC60084
0.8438	Intermediate Similarity	NPC210942
0.8438	Intermediate Similarity	NPC214632
0.8434	Intermediate Similarity	NPC225419
0.8434	Intermediate Similarity	NPC472660
0.8431	Intermediate Similarity	NPC155552
0.8428	Intermediate Similarity	NPC316960
0.8428	Intermediate Similarity	NPC133856
0.8428	Intermediate Similarity	NPC204561
0.8428	Intermediate Similarity	NPC148945
0.8428	Intermediate Similarity	NPC309512
0.8428	Intermediate Similarity	NPC470569
0.8428	Intermediate Similarity	NPC78835
0.8428	Intermediate Similarity	NPC317715
0.8424	Intermediate Similarity	NPC473286
0.8421	Intermediate Similarity	NPC208069
0.8418	Intermediate Similarity	NPC103116
0.8418	Intermediate Similarity	NPC288036
0.8418	Intermediate Similarity	NPC65775
0.8418	Intermediate Similarity	NPC329933
0.8418	Intermediate Similarity	NPC65589
0.8418	Intermediate Similarity	NPC158338
0.8418	Intermediate Similarity	NPC97029
0.8418	Intermediate Similarity	NPC100985
0.8418	Intermediate Similarity	NPC10027
0.8418	Intermediate Similarity	NPC97028
0.8415	Intermediate Similarity	NPC470694
0.8412	Intermediate Similarity	NPC207467
0.8408	Intermediate Similarity	NPC8817
0.8408	Intermediate Similarity	NPC245584
0.8408	Intermediate Similarity	NPC190648
0.8408	Intermediate Similarity	NPC34802
0.8408	Intermediate Similarity	NPC289042
0.8408	Intermediate Similarity	NPC312929
0.8408	Intermediate Similarity	NPC56433
0.8408	Intermediate Similarity	NPC118027
0.8408	Intermediate Similarity	NPC126767
0.8408	Intermediate Similarity	NPC308200
0.8405	Intermediate Similarity	NPC292863
0.8405	Intermediate Similarity	NPC184326
0.8405	Intermediate Similarity	NPC143050
0.8402	Intermediate Similarity	NPC474345
0.8397	Intermediate Similarity	NPC131766
0.8397	Intermediate Similarity	NPC473692
0.8397	Intermediate Similarity	NPC469764
0.8395	Intermediate Similarity	NPC143328

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC158542 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	279
0.1-0.2	899
0.2-0.3	1539
0.3-0.4	2380
0.4-0.5	2119
0.5-0.6	1215
0.6-0.7	497
0.7-0.8	206
0.8-0.85	23
0.85-0.9	4
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8618	High Similarity	NPD6398	Clinical (unspecified phase)
0.8516	High Similarity	NPD2533	Approved
0.8516	High Similarity	NPD2532	Approved
0.8516	High Similarity	NPD2534	Approved
0.8466	Intermediate Similarity	NPD6959	Discontinued
0.8438	Intermediate Similarity	NPD7819	Suspended
0.8383	Intermediate Similarity	NPD5844	Phase 1
0.8377	Intermediate Similarity	NPD3750	Approved
0.8282	Intermediate Similarity	NPD3749	Approved
0.8235	Intermediate Similarity	NPD6099	Approved
0.8235	Intermediate Similarity	NPD6100	Approved
0.8221	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.8199	Intermediate Similarity	NPD7411	Suspended
0.8187	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.8155	Intermediate Similarity	NPD7473	Discontinued
0.811	Intermediate Similarity	NPD7768	Phase 2
0.8084	Intermediate Similarity	NPD6232	Discontinued
0.8077	Intermediate Similarity	NPD2800	Approved
0.8075	Intermediate Similarity	NPD3226	Approved
0.8065	Intermediate Similarity	NPD2346	Discontinued
0.8052	Intermediate Similarity	NPD3748	Approved
0.805	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.8049	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.8025	Intermediate Similarity	NPD7003	Approved
0.8023	Intermediate Similarity	NPD6559	Discontinued
0.8013	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD6273	Approved
0.7988	Intermediate Similarity	NPD1465	Phase 2
0.7988	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7988	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7976	Intermediate Similarity	NPD5710	Approved
0.7976	Intermediate Similarity	NPD5711	Approved
0.7964	Intermediate Similarity	NPD5494	Approved
0.7962	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7952	Intermediate Similarity	NPD7075	Discontinued
0.7937	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7937	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7927	Intermediate Similarity	NPD37	Approved
0.7914	Intermediate Similarity	NPD6599	Discontinued
0.7904	Intermediate Similarity	NPD6234	Discontinued
0.7892	Intermediate Similarity	NPD4966	Approved
0.7892	Intermediate Similarity	NPD4967	Phase 2
0.7892	Intermediate Similarity	NPD4965	Approved
0.7879	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.787	Intermediate Similarity	NPD7229	Phase 3
0.7829	Intermediate Similarity	NPD8312	Approved
0.7829	Intermediate Similarity	NPD8313	Approved
0.7805	Intermediate Similarity	NPD4380	Phase 2
0.7799	Intermediate Similarity	NPD4628	Phase 3
0.7791	Intermediate Similarity	NPD7228	Approved
0.7785	Intermediate Similarity	NPD1549	Phase 2
0.7778	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD3764	Approved
0.7771	Intermediate Similarity	NPD1551	Phase 2
0.7771	Intermediate Similarity	NPD2935	Discontinued
0.7759	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7744	Intermediate Similarity	NPD7458	Discontinued
0.773	Intermediate Similarity	NPD920	Approved
0.7722	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7722	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7722	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7712	Intermediate Similarity	NPD4625	Phase 3
0.7711	Intermediate Similarity	NPD1934	Approved
0.7711	Intermediate Similarity	NPD6801	Discontinued
0.7707	Intermediate Similarity	NPD2799	Discontinued
0.7707	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7679	Intermediate Similarity	NPD3882	Suspended
0.7647	Intermediate Similarity	NPD4908	Phase 1
0.764	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7633	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7628	Intermediate Similarity	NPD5124	Phase 1
0.7628	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7619	Intermediate Similarity	NPD5402	Approved
0.761	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7595	Intermediate Similarity	NPD1510	Phase 2
0.7586	Intermediate Similarity	NPD3818	Discontinued
0.758	Intermediate Similarity	NPD1607	Approved
0.7572	Intermediate Similarity	NPD6166	Phase 2
0.7572	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7572	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.756	Intermediate Similarity	NPD2801	Approved
0.755	Intermediate Similarity	NPD4749	Approved
0.7548	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7548	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7547	Intermediate Similarity	NPD5406	Approved
0.7547	Intermediate Similarity	NPD5405	Approved
0.7547	Intermediate Similarity	NPD2796	Approved
0.7547	Intermediate Similarity	NPD5404	Approved
0.7547	Intermediate Similarity	NPD5408	Approved
0.7546	Intermediate Similarity	NPD7390	Discontinued
0.7546	Intermediate Similarity	NPD6799	Approved
0.7545	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD1243	Approved
0.7515	Intermediate Similarity	NPD3817	Phase 2
0.75	Intermediate Similarity	NPD8434	Phase 2
0.75	Intermediate Similarity	NPD8032	Phase 2
0.75	Intermediate Similarity	NPD7199	Phase 2
0.75	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD8127	Discontinued
0.75	Intermediate Similarity	NPD6696	Suspended
0.7486	Intermediate Similarity	NPD7177	Discontinued
0.7484	Intermediate Similarity	NPD4308	Phase 3
0.7469	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7468	Intermediate Similarity	NPD6651	Approved
0.7456	Intermediate Similarity	NPD5760	Phase 2
0.7456	Intermediate Similarity	NPD5761	Phase 2
0.7452	Intermediate Similarity	NPD1240	Approved
0.7443	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7443	Intermediate Similarity	NPD7286	Phase 2
0.7439	Intermediate Similarity	NPD1511	Approved
0.7436	Intermediate Similarity	NPD2313	Discontinued
0.7418	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7416	Intermediate Similarity	NPD3658	Clinical (unspecified phase)
0.7416	Intermediate Similarity	NPD7240	Approved
0.7414	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7412	Intermediate Similarity	NPD4288	Approved
0.741	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.741	Intermediate Similarity	NPD5403	Approved
0.7405	Intermediate Similarity	NPD230	Phase 1
0.7403	Intermediate Similarity	NPD8150	Discontinued
0.7401	Intermediate Similarity	NPD7074	Phase 3
0.7386	Intermediate Similarity	NPD1283	Approved
0.7378	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7374	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7362	Intermediate Similarity	NPD8166	Discontinued
0.736	Intermediate Similarity	NPD5953	Discontinued
0.7349	Intermediate Similarity	NPD1512	Approved
0.7345	Intermediate Similarity	NPD7054	Approved
0.7342	Intermediate Similarity	NPD4140	Approved
0.7342	Intermediate Similarity	NPD2979	Phase 3
0.7342	Intermediate Similarity	NPD4060	Phase 1
0.7338	Intermediate Similarity	NPD2797	Approved
0.7325	Intermediate Similarity	NPD3268	Approved
0.7322	Intermediate Similarity	NPD4287	Approved
0.7316	Intermediate Similarity	NPD7435	Discontinued
0.7306	Intermediate Similarity	NPD8151	Discontinued
0.7303	Intermediate Similarity	NPD1610	Phase 2
0.7303	Intermediate Similarity	NPD7472	Approved
0.729	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7289	Intermediate Similarity	NPD5401	Approved
0.7288	Intermediate Similarity	NPD3751	Discontinued
0.7285	Intermediate Similarity	NPD4626	Approved
0.7284	Intermediate Similarity	NPD6004	Phase 3
0.7284	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7284	Intermediate Similarity	NPD6002	Phase 3
0.7284	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7284	Intermediate Similarity	NPD6005	Phase 3
0.7283	Intermediate Similarity	NPD919	Approved
0.7278	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7263	Intermediate Similarity	NPD6797	Phase 2
0.7261	Intermediate Similarity	NPD5952	Clinical (unspecified phase)
0.7249	Intermediate Similarity	NPD6776	Approved
0.7249	Intermediate Similarity	NPD6782	Approved
0.7249	Intermediate Similarity	NPD6780	Approved
0.7249	Intermediate Similarity	NPD6778	Approved
0.7249	Intermediate Similarity	NPD6777	Approved
0.7249	Intermediate Similarity	NPD6781	Approved
0.7249	Intermediate Similarity	NPD6779	Approved
0.7233	Intermediate Similarity	NPD4307	Phase 2
0.7222	Intermediate Similarity	NPD7251	Discontinued
0.7219	Intermediate Similarity	NPD5691	Approved
0.719	Intermediate Similarity	NPD422	Phase 1
0.719	Intermediate Similarity	NPD1281	Approved
0.7186	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7184	Intermediate Similarity	NPD5537	Clinical (unspecified phase)
0.7182	Intermediate Similarity	NPD7808	Phase 3
0.7178	Intermediate Similarity	NPD2344	Approved
0.7173	Intermediate Similarity	NPD6823	Phase 2
0.7171	Intermediate Similarity	NPD1778	Approved
0.717	Intermediate Similarity	NPD6663	Approved
0.7159	Intermediate Similarity	NPD3787	Discontinued
0.7151	Intermediate Similarity	NPD8455	Phase 2
0.7143	Intermediate Similarity	NPD7783	Phase 2
0.7143	Intermediate Similarity	NPD1608	Approved
0.7143	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7135	Intermediate Similarity	NPD7698	Approved
0.7135	Intermediate Similarity	NPD7696	Phase 3
0.7135	Intermediate Similarity	NPD7697	Approved
0.7134	Intermediate Similarity	NPD2861	Phase 2
0.7134	Intermediate Similarity	NPD5736	Approved
0.7126	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD6971	Discontinued
0.7117	Intermediate Similarity	NPD4476	Approved
0.7117	Intermediate Similarity	NPD4477	Approved
0.7117	Intermediate Similarity	NPD2438	Suspended
0.7115	Intermediate Similarity	NPD1470	Approved
0.7115	Intermediate Similarity	NPD1203	Approved
0.7107	Intermediate Similarity	NPD411	Approved
0.7107	Intermediate Similarity	NPD7985	Registered
0.7104	Intermediate Similarity	NPD7090	Clinical (unspecified phase)
0.7102	Intermediate Similarity	NPD1247	Approved
0.7101	Intermediate Similarity	NPD7427	Discontinued
0.7099	Intermediate Similarity	NPD7097	Phase 1
0.7098	Intermediate Similarity	NPD7870	Phase 2
0.7098	Intermediate Similarity	NPD7871	Phase 2
0.7092	Intermediate Similarity	NPD7874	Approved
0.7092	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7091	Intermediate Similarity	NPD6674	Discontinued
0.7091	Intermediate Similarity	NPD5698	Clinical (unspecified phase)

Structure

CID158542 OpenBabel06191715532D 28 32 0 0 1 0 0 0 0 0999 V2000 3.9641 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9641 2.8660 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 0.0000 1.0000 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 4.3301 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 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -3.0000 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 -1.8171 -1.1910 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 -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 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7321 -0.0000 0.0000 C 0 0 2 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 -0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8171 -2.8090 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 0.5000 0.0000 C 0 0 2 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 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1261 -3.7601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4049 -2.0000 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 21 1 0 0 0 0 2 21 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 7 22 1 0 0 0 0 8 23 1 0 0 0 0 9 12 2 0 0 0 0 9 15 1 0 0 0 0 10 13 1 0 0 0 0 10 17 1 0 0 0 0 11 14 1 0 0 0 0 11 27 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 14 19 2 0 0 0 0 15 24 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 1 0 0 0 17 22 1 1 0 0 0 17 23 1 0 0 0 0 18 21 1 0 0 0 0 18 25 2 0 0 0 0 19 28 1 0 0 0 0 20 26 2 0 0 0 0 20 27 1 0 0 0 0 22 3 1 1 0 0 0 23 4 1 6 0 0 0 23 28 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	52952104
ChEMBL	CHEMBL1773755
ZINC

Physicochemical Properties

Molecular Weight:	384.19
ALogP:	1.1477
MLogP:	3.44
XLogP:	2.802
# Rotatable Bonds:	5
Polar Surface Area:	72.83
# H-Bond Aceptor:	3
# H-Bond Donor:	1
# Rings:	5
# Heavy Atoms:	28

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