NPASS Natural Product

Natural Product: NPC24802

Natural Product ID:	NPC24802
Common Name:	Lissoclinidine B
IUPAC Name:
Synonyms:
Molecular Formula:	C18H15N3OS
Standard InCHIKey:	TWEAHXLHBWIDGZ-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C18H15N3OS/c19-7-5-12-15-14-11(10-3-1-2-4-13(10)21-15)6-8-20-16(14)17-18(12)23-9-22-17/h1-4,6,8,21H,5,7,9,19H2
Canonical SMILES:	NCCc1c2SCOc2c2c3c1[nH]c1ccccc1c3ccn2
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
NPO32940	lissoclinum cf. badium	Species	Didemnidae	Eukaryota				PMID[18977148]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Individual Protein	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT3728	Individual Protein	p53-binding protein Mdm-2	Homo sapiens	IC50	=	58600	nM	1791472

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 NPC24802 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	716
0.1-0.2	6230
0.2-0.3	7031
0.3-0.4	12184
0.4-0.5	2358
0.5-0.6	1731
0.6-0.7	576
0.7-0.8	61
0.8-0.85	2
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8178	Intermediate Similarity	NPC477113
0.8018	Intermediate Similarity	NPC477111
0.7928	Intermediate Similarity	NPC477110
0.7591	Intermediate Similarity	NPC245816
0.7591	Intermediate Similarity	NPC476138
0.7589	Intermediate Similarity	NPC208284
0.7478	Intermediate Similarity	NPC94157
0.7477	Intermediate Similarity	NPC242928
0.7477	Intermediate Similarity	NPC296527
0.7469	Intermediate Similarity	NPC142385
0.7442	Intermediate Similarity	NPC76748
0.7426	Intermediate Similarity	NPC180504
0.7407	Intermediate Similarity	NPC92111
0.7384	Intermediate Similarity	NPC469554
0.7384	Intermediate Similarity	NPC101543
0.7376	Intermediate Similarity	NPC19872
0.7376	Intermediate Similarity	NPC176538
0.7354	Intermediate Similarity	NPC475774
0.7345	Intermediate Similarity	NPC185782
0.7342	Intermediate Similarity	NPC477112
0.7339	Intermediate Similarity	NPC307963
0.7325	Intermediate Similarity	NPC26679
0.7319	Intermediate Similarity	NPC103687
0.7319	Intermediate Similarity	NPC132631
0.7297	Intermediate Similarity	NPC329793
0.7284	Intermediate Similarity	NPC72905
0.7253	Intermediate Similarity	NPC132642
0.7217	Intermediate Similarity	NPC162530
0.7217	Intermediate Similarity	NPC476287
0.7196	Intermediate Similarity	NPC474798
0.7195	Intermediate Similarity	NPC251090
0.7193	Intermediate Similarity	NPC473181
0.7191	Intermediate Similarity	NPC216612
0.7185	Intermediate Similarity	NPC314954
0.7175	Intermediate Similarity	NPC128823
0.7175	Intermediate Similarity	NPC287437
0.7168	Intermediate Similarity	NPC47059
0.7168	Intermediate Similarity	NPC118832
0.7168	Intermediate Similarity	NPC285558
0.7168	Intermediate Similarity	NPC165349
0.7168	Intermediate Similarity	NPC329708
0.7168	Intermediate Similarity	NPC264166
0.7168	Intermediate Similarity	NPC274291
0.7167	Intermediate Similarity	NPC49547
0.7162	Intermediate Similarity	NPC267928
0.7162	Intermediate Similarity	NPC167860
0.7162	Intermediate Similarity	NPC123976
0.7162	Intermediate Similarity	NPC199667
0.7155	Intermediate Similarity	NPC470799
0.7155	Intermediate Similarity	NPC8022
0.7101	Intermediate Similarity	NPC470018
0.7101	Intermediate Similarity	NPC153467
0.71	Intermediate Similarity	NPC473180
0.708	Intermediate Similarity	NPC137353
0.7071	Intermediate Similarity	NPC473185
0.7071	Intermediate Similarity	NPC74575
0.7069	Intermediate Similarity	NPC266931
0.7067	Intermediate Similarity	NPC315957
0.7064	Intermediate Similarity	NPC292958
0.7033	Intermediate Similarity	NPC118511
0.7031	Intermediate Similarity	NPC175916
0.7005	Intermediate Similarity	NPC176127
0.7	Intermediate Similarity	NPC476465
0.6992	Remote Similarity	NPC193267
0.6992	Remote Similarity	NPC213530
0.6991	Remote Similarity	NPC222592
0.6991	Remote Similarity	NPC234197
0.6991	Remote Similarity	NPC168486
0.6991	Remote Similarity	NPC121772
0.6987	Remote Similarity	NPC470164
0.6987	Remote Similarity	NPC323345
0.6983	Remote Similarity	NPC475253
0.6983	Remote Similarity	NPC124636
0.6982	Remote Similarity	NPC99666
0.6978	Remote Similarity	NPC192315
0.696	Remote Similarity	NPC232727
0.6955	Remote Similarity	NPC473186
0.6953	Remote Similarity	NPC193370
0.6948	Remote Similarity	NPC208522
0.6947	Remote Similarity	NPC476582
0.6947	Remote Similarity	NPC476578
0.6947	Remote Similarity	NPC476167
0.6947	Remote Similarity	NPC4071
0.694	Remote Similarity	NPC5145
0.694	Remote Similarity	NPC471304
0.6933	Remote Similarity	NPC77555
0.6927	Remote Similarity	NPC220765
0.6926	Remote Similarity	NPC82548
0.6926	Remote Similarity	NPC287208
0.6926	Remote Similarity	NPC66699
0.692	Remote Similarity	NPC131017
0.692	Remote Similarity	NPC473179
0.6898	Remote Similarity	NPC39370
0.6895	Remote Similarity	NPC204717
0.6894	Remote Similarity	NPC470549
0.6892	Remote Similarity	NPC471891
0.6891	Remote Similarity	NPC77022
0.6889	Remote Similarity	NPC13880
0.6883	Remote Similarity	NPC313189
0.6883	Remote Similarity	NPC135549
0.6875	Remote Similarity	NPC322482
0.6875	Remote Similarity	NPC475190
0.687	Remote Similarity	NPC36229
0.687	Remote Similarity	NPC476581
0.687	Remote Similarity	NPC16452
0.687	Remote Similarity	NPC470930
0.687	Remote Similarity	NPC295228
0.687	Remote Similarity	NPC475070
0.6867	Remote Similarity	NPC147810
0.6864	Remote Similarity	NPC170114
0.6864	Remote Similarity	NPC314002
0.6862	Remote Similarity	NPC216221
0.6856	Remote Similarity	NPC470678
0.6849	Remote Similarity	NPC17565
0.6842	Remote Similarity	NPC329747
0.6842	Remote Similarity	NPC473183
0.6838	Remote Similarity	NPC187501
0.6838	Remote Similarity	NPC26543
0.6836	Remote Similarity	NPC53534
0.6835	Remote Similarity	NPC173344
0.6833	Remote Similarity	NPC171171
0.683	Remote Similarity	NPC133140
0.683	Remote Similarity	NPC195268
0.6829	Remote Similarity	NPC473184
0.6826	Remote Similarity	NPC162484
0.6822	Remote Similarity	NPC314940
0.6822	Remote Similarity	NPC473764
0.6818	Remote Similarity	NPC284678
0.6815	Remote Similarity	NPC30540
0.6809	Remote Similarity	NPC96405
0.6809	Remote Similarity	NPC53069
0.6809	Remote Similarity	NPC251160
0.6809	Remote Similarity	NPC171409
0.6809	Remote Similarity	NPC202768
0.6809	Remote Similarity	NPC296482
0.6807	Remote Similarity	NPC149014
0.6805	Remote Similarity	NPC65277
0.6802	Remote Similarity	NPC74382
0.6802	Remote Similarity	NPC206251
0.6795	Remote Similarity	NPC188420
0.6793	Remote Similarity	NPC476161
0.6781	Remote Similarity	NPC476157
0.678	Remote Similarity	NPC478074
0.678	Remote Similarity	NPC39500
0.6776	Remote Similarity	NPC476451
0.6771	Remote Similarity	NPC224327
0.6769	Remote Similarity	NPC477019
0.6767	Remote Similarity	NPC472111
0.6765	Remote Similarity	NPC473513
0.6763	Remote Similarity	NPC280272
0.6753	Remote Similarity	NPC223427
0.675	Remote Similarity	NPC472099
0.6743	Remote Similarity	NPC184964
0.6742	Remote Similarity	NPC284559
0.6739	Remote Similarity	NPC31930
0.6737	Remote Similarity	NPC316981
0.6736	Remote Similarity	NPC96321
0.6736	Remote Similarity	NPC173080
0.6734	Remote Similarity	NPC470017
0.6723	Remote Similarity	NPC11464
0.6723	Remote Similarity	NPC470020
0.6721	Remote Similarity	NPC6215
0.6709	Remote Similarity	NPC475910
0.6709	Remote Similarity	NPC271215
0.6709	Remote Similarity	NPC149471
0.6707	Remote Similarity	NPC470022
0.6697	Remote Similarity	NPC224764
0.6695	Remote Similarity	NPC469727
0.6695	Remote Similarity	NPC476041
0.6695	Remote Similarity	NPC304926
0.6682	Remote Similarity	NPC26850
0.6682	Remote Similarity	NPC478032
0.6681	Remote Similarity	NPC235076
0.6681	Remote Similarity	NPC201697
0.6681	Remote Similarity	NPC324149
0.668	Remote Similarity	NPC225279
0.6679	Remote Similarity	NPC152620
0.6667	Remote Similarity	NPC270515
0.6667	Remote Similarity	NPC193777
0.6667	Remote Similarity	NPC112206
0.6667	Remote Similarity	NPC184408
0.6667	Remote Similarity	NPC134079
0.6667	Remote Similarity	NPC267423
0.6667	Remote Similarity	NPC202605
0.6653	Remote Similarity	NPC290689
0.6652	Remote Similarity	NPC329541
0.6652	Remote Similarity	NPC470500
0.6639	Remote Similarity	NPC245348
0.6639	Remote Similarity	NPC208084
0.6638	Remote Similarity	NPC18348
0.6637	Remote Similarity	NPC42591
0.6636	Remote Similarity	NPC252590
0.6636	Remote Similarity	NPC42979
0.6636	Remote Similarity	NPC88363
0.6626	Remote Similarity	NPC144452
0.6624	Remote Similarity	NPC300156
0.6624	Remote Similarity	NPC45190
0.6623	Remote Similarity	NPC43787
0.6623	Remote Similarity	NPC205934
0.6616	Remote Similarity	NPC132385

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC24802 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	373
0.1-0.2	869
0.2-0.3	892
0.3-0.4	1938
0.4-0.5	2709
0.5-0.6	1769
0.6-0.7	566
0.7-0.8	45
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7419	Intermediate Similarity	NPD1304	Clinical (unspecified phase)
0.7391	Intermediate Similarity	NPD4429	Discontinued
0.7345	Intermediate Similarity	NPD2125	Clinical (unspecified phase)
0.7339	Intermediate Similarity	NPD1038	Approved
0.7336	Intermediate Similarity	NPD8100	Phase 3
0.7284	Intermediate Similarity	NPD3402	Phase 1
0.7261	Intermediate Similarity	NPD6140	Clinical (unspecified phase)
0.7257	Intermediate Similarity	NPD5559	Phase 2
0.7252	Intermediate Similarity	NPD4118	Clinical (unspecified phase)
0.7247	Intermediate Similarity	NPD8101	Phase 3
0.7208	Intermediate Similarity	NPD4850	Phase 1
0.7195	Intermediate Similarity	NPD3477	Phase 2
0.7195	Intermediate Similarity	NPD3478	Clinical (unspecified phase)
0.7175	Intermediate Similarity	NPD3825	Phase 3
0.7168	Intermediate Similarity	NPD32	Approved
0.7168	Intermediate Similarity	NPD4035	Approved
0.7168	Intermediate Similarity	NPD4122	Approved
0.7168	Intermediate Similarity	NPD4039	Approved
0.7168	Intermediate Similarity	NPD4033	Approved
0.7168	Intermediate Similarity	NPD4036	Approved
0.7168	Intermediate Similarity	NPD31	Approved
0.7168	Intermediate Similarity	NPD4038	Approved
0.7168	Intermediate Similarity	NPD4037	Approved
0.7168	Intermediate Similarity	NPD4034	Approved
0.7168	Intermediate Similarity	NPD4795	Phase 2
0.716	Intermediate Similarity	NPD6750	Phase 2
0.7156	Intermediate Similarity	NPD5669	Clinical (unspecified phase)
0.7155	Intermediate Similarity	NPD5612	Discontinued
0.7125	Intermediate Similarity	NPD6131	Phase 1
0.7124	Intermediate Similarity	NPD7823	Clinical (unspecified phase)
0.7098	Intermediate Similarity	NPD5999	Phase 2
0.7083	Intermediate Similarity	NPD6968	Phase 2
0.7083	Intermediate Similarity	NPD5022	Discontinued
0.7083	Intermediate Similarity	NPD6969	Phase 2
0.7067	Intermediate Similarity	NPD1739	Approved
0.7067	Intermediate Similarity	NPD1740	Approved
0.7059	Intermediate Similarity	NPD6569	Phase 2
0.7056	Intermediate Similarity	NPD6220	Phase 3
0.7027	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.7026	Intermediate Similarity	NPD3330	Phase 1
0.7019	Intermediate Similarity	NPD112	Approved
0.7019	Intermediate Similarity	NPD9705	Discontinued
0.7	Intermediate Similarity	NPD2187	Approved
0.7	Intermediate Similarity	NPD6553	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD2189	Approved
0.6986	Remote Similarity	NPD4921	Phase 3
0.6986	Remote Similarity	NPD4920	Clinical (unspecified phase)
0.6986	Remote Similarity	NPD4919	Phase 3
0.6983	Remote Similarity	NPD4502	Phase 2
0.6976	Remote Similarity	NPD7067	Approved
0.6976	Remote Similarity	NPD7068	Approved
0.6971	Remote Similarity	NPD7555	Discontinued
0.6962	Remote Similarity	NPD6242	Discontinued
0.6958	Remote Similarity	NPD7051	Phase 3
0.6958	Remote Similarity	NPD7050	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD7222	Phase 2
0.6951	Remote Similarity	NPD9695	Approved
0.6947	Remote Similarity	NPD4548	Discontinued
0.692	Remote Similarity	NPD3324	Clinical (unspecified phase)
0.6917	Remote Similarity	NPD6246	Approved
0.6917	Remote Similarity	NPD4890	Phase 2
0.691	Remote Similarity	NPD7468	Clinical (unspecified phase)
0.6905	Remote Similarity	NPD5998	Clinical (unspecified phase)
0.6904	Remote Similarity	NPD1856	Discontinued
0.6902	Remote Similarity	NPD6961	Discontinued
0.6892	Remote Similarity	NPD6276	Discontinued
0.6886	Remote Similarity	NPD5259	Phase 3
0.6883	Remote Similarity	NPD4865	Approved
0.6878	Remote Similarity	NPD1034	Phase 3
0.6878	Remote Similarity	NPD1033	Clinical (unspecified phase)
0.6878	Remote Similarity	NPD2021	Discontinued
0.6878	Remote Similarity	NPD3354	Phase 2
0.6872	Remote Similarity	NPD8052	Clinical (unspecified phase)
0.6865	Remote Similarity	NPD5644	Phase 1
0.6857	Remote Similarity	NPD4296	Phase 2
0.6857	Remote Similarity	NPD6494	Phase 2
0.6853	Remote Similarity	NPD5528	Clinical (unspecified phase)
0.6853	Remote Similarity	NPD5658	Approved
0.6853	Remote Similarity	NPD5529	Phase 1
0.6838	Remote Similarity	NPD6956	Phase 1
0.6833	Remote Similarity	NPD5256	Discontinued
0.683	Remote Similarity	NPD3921	Approved
0.683	Remote Similarity	NPD3922	Approved
0.683	Remote Similarity	NPD3923	Approved
0.683	Remote Similarity	NPD3924	Approved
0.6818	Remote Similarity	NPD7433	Phase 1
0.6813	Remote Similarity	NPD6230	Discontinued
0.6809	Remote Similarity	NPD3816	Phase 1
0.6809	Remote Similarity	NPD3815	Phase 1
0.6792	Remote Similarity	NPD4881	Clinical (unspecified phase)
0.6791	Remote Similarity	NPD5680	Clinical (unspecified phase)
0.6784	Remote Similarity	NPD6988	Phase 1
0.6778	Remote Similarity	NPD3514	Clinical (unspecified phase)
0.6773	Remote Similarity	NPD4440	Clinical (unspecified phase)
0.6766	Remote Similarity	NPD5066	Phase 2
0.6766	Remote Similarity	NPD5067	Phase 2
0.6763	Remote Similarity	NPD6160	Clinical (unspecified phase)
0.676	Remote Similarity	NPD7816	Clinical (unspecified phase)
0.6756	Remote Similarity	NPD3404	Approved
0.6747	Remote Similarity	NPD7729	Clinical (unspecified phase)
0.6746	Remote Similarity	NPD5483	Clinical (unspecified phase)
0.6743	Remote Similarity	NPD1032	Phase 2
0.6738	Remote Similarity	NPD7452	Approved
0.6738	Remote Similarity	NPD7453	Approved
0.6728	Remote Similarity	NPD9690	Approved
0.6724	Remote Similarity	NPD3397	Phase 2
0.6723	Remote Similarity	NPD6147	Clinical (unspecified phase)
0.6711	Remote Similarity	NPD6769	Clinical (unspecified phase)
0.6709	Remote Similarity	NPD1322	Clinical (unspecified phase)
0.6709	Remote Similarity	NPD5863	Clinical (unspecified phase)
0.6706	Remote Similarity	NPD3809	Discontinued
0.6706	Remote Similarity	NPD4303	Clinical (unspecified phase)
0.6705	Remote Similarity	NPD5911	Clinical (unspecified phase)
0.6696	Remote Similarity	NPD3395	Approved
0.6696	Remote Similarity	NPD3396	Approved
0.6696	Remote Similarity	NPD6861	Clinical (unspecified phase)
0.6695	Remote Similarity	NPD5936	Approved
0.6695	Remote Similarity	NPD5939	Approved
0.6695	Remote Similarity	NPD3440	Clinical (unspecified phase)
0.6693	Remote Similarity	NPD7868	Clinical (unspecified phase)
0.6681	Remote Similarity	NPD4044	Discontinued
0.6667	Remote Similarity	NPD3006	Discontinued
0.6667	Remote Similarity	NPD565	Phase 2
0.6667	Remote Similarity	NPD6568	Discontinued
0.6667	Remote Similarity	NPD5083	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD7567	Approved
0.6667	Remote Similarity	NPD4454	Phase 2
0.6667	Remote Similarity	NPD1259	Discontinued
0.6653	Remote Similarity	NPD7558	Phase 2
0.6652	Remote Similarity	NPD7414	Clinical (unspecified phase)
0.6651	Remote Similarity	NPD5065	Approved
0.6639	Remote Similarity	NPD5945	Phase 1
0.6639	Remote Similarity	NPD1258	Discontinued
0.6639	Remote Similarity	NPD5944	Phase 1
0.6638	Remote Similarity	NPD7948	Phase 1
0.6637	Remote Similarity	NPD5913	Phase 3
0.6637	Remote Similarity	NPD5912	Clinical (unspecified phase)
0.6637	Remote Similarity	NPD1235	Phase 3
0.6628	Remote Similarity	NPD4926	Clinical (unspecified phase)
0.6623	Remote Similarity	NPD6590	Discontinued
0.6623	Remote Similarity	NPD4418	Discontinued
0.6614	Remote Similarity	NPD5044	Phase 2
0.6612	Remote Similarity	NPD5070	Clinical (unspecified phase)
0.6598	Remote Similarity	NPD8109	Clinical (unspecified phase)
0.6598	Remote Similarity	NPD5948	Phase 2
0.6596	Remote Similarity	NPD1392	Approved
0.6596	Remote Similarity	NPD6290	Phase 2
0.6591	Remote Similarity	NPD4072	Approved
0.6591	Remote Similarity	NPD4071	Approved
0.6589	Remote Similarity	NPD7659	Discontinued
0.6587	Remote Similarity	NPD4861	Discontinued
0.6586	Remote Similarity	NPD6741	Clinical (unspecified phase)
0.6583	Remote Similarity	NPD6803	Clinical (unspecified phase)
0.658	Remote Similarity	NPD2175	Phase 3
0.658	Remote Similarity	NPD2176	Approved
0.658	Remote Similarity	NPD2177	Approved
0.6574	Remote Similarity	NPD4344	Clinical (unspecified phase)
0.6574	Remote Similarity	NPD4343	Phase 1
0.6571	Remote Similarity	NPD7586	Clinical (unspecified phase)
0.657	Remote Similarity	NPD3763	Approved
0.657	Remote Similarity	NPD5270	Discontinued
0.6562	Remote Similarity	NPD4889	Approved
0.656	Remote Similarity	NPD6964	Approved
0.656	Remote Similarity	NPD6963	Approved
0.6559	Remote Similarity	NPD6759	Phase 2
0.6555	Remote Similarity	NPD4131	Phase 3
0.6553	Remote Similarity	NPD3003	Approved
0.6552	Remote Similarity	NPD484	Approved
0.6545	Remote Similarity	NPD7603	Discontinued
0.6543	Remote Similarity	NPD5850	Phase 3
0.6532	Remote Similarity	NPD5842	Clinical (unspecified phase)
0.6528	Remote Similarity	NPD8284	Discontinued
0.6526	Remote Similarity	NPD2581	Approved
0.6526	Remote Similarity	NPD2582	Approved
0.652	Remote Similarity	NPD6281	Approved
0.6516	Remote Similarity	NPD6159	Phase 2
0.6515	Remote Similarity	NPD7112	Discontinued
0.651	Remote Similarity	NPD7592	Phase 2
0.651	Remote Similarity	NPD7413	Phase 3
0.6504	Remote Similarity	NPD6257	Clinical (unspecified phase)
0.6504	Remote Similarity	NPD7719	Discontinued
0.6504	Remote Similarity	NPD5590	Clinical (unspecified phase)
0.65	Remote Similarity	NPD2616	Phase 3
0.65	Remote Similarity	NPD2615	Phase 3
0.6496	Remote Similarity	NPD3931	Approved
0.6496	Remote Similarity	NPD3928	Approved
0.6496	Remote Similarity	NPD4355	Clinical (unspecified phase)
0.6496	Remote Similarity	NPD5023	Discontinued
0.6494	Remote Similarity	NPD4899	Clinical (unspecified phase)
0.649	Remote Similarity	NPD3611	Phase 3
0.649	Remote Similarity	NPD1954	Phase 1
0.6489	Remote Similarity	NPD7424	Clinical (unspecified phase)
0.6489	Remote Similarity	NPD8091	Phase 3
0.6489	Remote Similarity	NPD6610	Clinical (unspecified phase)
0.6485	Remote Similarity	NPD3939	Suspended
0.6484	Remote Similarity	NPD5047	Clinical (unspecified phase)
0.6484	Remote Similarity	NPD1078	Clinical (unspecified phase)
0.6483	Remote Similarity	NPD5530	Phase 1
0.6478	Remote Similarity	NPD6491	Clinical (unspecified phase)
0.6475	Remote Similarity	NPD5930	Phase 3

Structure

NPC24802 OpenBabel07101718242D 23 27 0 0 0 0 0 0 0 0999 V2000 5.4456 1.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3880 0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8087 1.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6935 0.0818 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 3.5491 2.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -1.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 3.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1142 1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0566 0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -1.1910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 2.8090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4197 0.0818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 10 2 0 0 0 0 4 13 2 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 12 15 2 0 0 0 0 12 18 1 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 20 2 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	25147779
ChEMBL	CHEMBL461462
ZINC

Physicochemical Properties

Molecular Weight:	321.09
ALogP:	-0.4611
MLogP:	2.89
XLogP:	2.449
# Rotatable Bonds:	3
Polar Surface Area:	85.47
# H-Bond Aceptor:	3
# H-Bond Donor:	2
# Rings:	5
# Heavy Atoms:	23

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