NPASS Natural Product

Natural Product: NPC110741

Natural Product ID:	NPC110741
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C22H24N2O2
Standard InCHIKey:	GTZWCZPREISNMM-DTQAZKPQSA-N
Standard InCHI:	InChI=1S/C22H24N2O2/c1-15(2)7-4-8-16(3)13-14-26-20-12-6-10-18-22(20)24-17-9-5-11-19(25)21(17)23-18/h5-7,9-13,25H,4,8,14H2,1-3H3/b16-13+
Canonical SMILES:	C/C(=CCOc1cccc2c1nc1cccc(c1n2)O)/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
NPO6655.3	Streptomyces niveus scsio 3406	Subspecies	Streptomycetaceae	Bacteria				StreptomeDB*
NPO31763	Streptomyces cnq-509	Species	Streptomycetaceae	Bacteria				StreptomeDB*

Biological Activity

Activity Type	# Activity
IC50	4
MIC	7

Activity Type	# Activity
Cell Line	4
Organism	5
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	>	128	ug/ml	24251399
NPT729	Organism	Micrococcus luteus	Micrococcus luteus	MIC	>	128	ug/ml	24251399
NPT2	Others	Unspecified		MIC	>	128	ug/ml	24251399
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	MIC	=	128	ug/ml	24251399
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	128	ug/ml	24251399
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	128	ug/ml	24251399
NPT397	Cell Line	NCI-H460	Homo sapiens	IC50	=	68900	nM	24251399
NPT2	Others	Unspecified		MIC	=	64	ug/ml	24251399
NPT65	Cell Line	HepG2	Homo sapiens	IC50	=	22300	nM	24251399
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	16800	nM	24251399
NPT395	Cell Line	SF-268	Homo sapiens	IC50	=	10200	nM	24251399

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 NPC110741 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	352
0.1-0.2	3548
0.2-0.3	9436
0.3-0.4	6040
0.4-0.5	8808
0.5-0.6	2001
0.6-0.7	597
0.7-0.8	95
0.8-0.85	4
0.85-0.9	6
0.9-0.95	1
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9641	High Similarity	NPC118776
0.9102	High Similarity	NPC1527
0.8865	High Similarity	NPC471736
0.8862	High Similarity	NPC79911
0.8802	High Similarity	NPC120798
0.8571	High Similarity	NPC308392
0.8548	High Similarity	NPC470586
0.8547	High Similarity	NPC314573
0.8471	Intermediate Similarity	NPC285635
0.8457	Intermediate Similarity	NPC95898
0.8239	Intermediate Similarity	NPC258773
0.8176	Intermediate Similarity	NPC36168
0.7967	Intermediate Similarity	NPC478023
0.7892	Intermediate Similarity	NPC42591
0.7857	Intermediate Similarity	NPC283152
0.7639	Intermediate Similarity	NPC291609
0.7634	Intermediate Similarity	NPC219963
0.7609	Intermediate Similarity	NPC288943
0.7593	Intermediate Similarity	NPC124300
0.759	Intermediate Similarity	NPC18487
0.7556	Intermediate Similarity	NPC118511
0.7553	Intermediate Similarity	NPC62069
0.754	Intermediate Similarity	NPC266551
0.754	Intermediate Similarity	NPC161887
0.7528	Intermediate Similarity	NPC26850
0.7513	Intermediate Similarity	NPC226202
0.7512	Intermediate Similarity	NPC209769
0.7489	Intermediate Similarity	NPC310618
0.7487	Intermediate Similarity	NPC478032
0.7475	Intermediate Similarity	NPC66815
0.7451	Intermediate Similarity	NPC250448
0.7437	Intermediate Similarity	NPC223427
0.7435	Intermediate Similarity	NPC66083
0.7421	Intermediate Similarity	NPC20249
0.7399	Intermediate Similarity	NPC470404
0.7399	Intermediate Similarity	NPC470394
0.7399	Intermediate Similarity	NPC470403
0.7379	Intermediate Similarity	NPC8022
0.7379	Intermediate Similarity	NPC470799
0.736	Intermediate Similarity	NPC26872
0.7356	Intermediate Similarity	NPC473179
0.734	Intermediate Similarity	NPC469589
0.7323	Intermediate Similarity	NPC128823
0.7317	Intermediate Similarity	NPC203168
0.7314	Intermediate Similarity	NPC470395
0.7313	Intermediate Similarity	NPC470930
0.731	Intermediate Similarity	NPC474188
0.731	Intermediate Similarity	NPC267928
0.7308	Intermediate Similarity	NPC197141
0.7308	Intermediate Similarity	NPC177404
0.7304	Intermediate Similarity	NPC219664
0.73	Intermediate Similarity	NPC475085
0.73	Intermediate Similarity	NPC291535
0.73	Intermediate Similarity	NPC475112
0.7291	Intermediate Similarity	NPC470931
0.7277	Intermediate Similarity	NPC320394
0.7258	Intermediate Similarity	NPC121658
0.7258	Intermediate Similarity	NPC14651
0.7234	Intermediate Similarity	NPC194724
0.7233	Intermediate Similarity	NPC26679
0.7222	Intermediate Similarity	NPC243834
0.7222	Intermediate Similarity	NPC70956
0.7204	Intermediate Similarity	NPC476518
0.7198	Intermediate Similarity	NPC471080
0.7198	Intermediate Similarity	NPC469592
0.7194	Intermediate Similarity	NPC280964
0.7194	Intermediate Similarity	NPC114335
0.7194	Intermediate Similarity	NPC141915
0.7192	Intermediate Similarity	NPC476106
0.719	Intermediate Similarity	NPC213530
0.719	Intermediate Similarity	NPC193267
0.7178	Intermediate Similarity	NPC475774
0.7178	Intermediate Similarity	NPC476138
0.7178	Intermediate Similarity	NPC245816
0.7157	Intermediate Similarity	NPC279401
0.7157	Intermediate Similarity	NPC79293
0.715	Intermediate Similarity	NPC200888
0.7143	Intermediate Similarity	NPC137929
0.7143	Intermediate Similarity	NPC469390
0.7143	Intermediate Similarity	NPC164374
0.7116	Intermediate Similarity	NPC473185
0.7115	Intermediate Similarity	NPC476287
0.7114	Intermediate Similarity	NPC315957
0.7114	Intermediate Similarity	NPC19872
0.7113	Intermediate Similarity	NPC61350
0.7111	Intermediate Similarity	NPC284348
0.7111	Intermediate Similarity	NPC153769
0.7108	Intermediate Similarity	NPC304183
0.71	Intermediate Similarity	NPC72211
0.709	Intermediate Similarity	NPC312872
0.7087	Intermediate Similarity	NPC185782
0.7068	Intermediate Similarity	NPC472168
0.7065	Intermediate Similarity	NPC25899
0.7064	Intermediate Similarity	NPC469554
0.7062	Intermediate Similarity	NPC469594
0.7059	Intermediate Similarity	NPC44161
0.7051	Intermediate Similarity	NPC227824
0.7049	Intermediate Similarity	NPC116573
0.7041	Intermediate Similarity	NPC242928
0.7039	Intermediate Similarity	NPC257142
0.7039	Intermediate Similarity	NPC287208
0.7037	Intermediate Similarity	NPC111624
0.7024	Intermediate Similarity	NPC472111
0.7021	Intermediate Similarity	NPC477888
0.701	Intermediate Similarity	NPC469440
0.7	Intermediate Similarity	NPC70259
0.7	Intermediate Similarity	NPC288445
0.6995	Remote Similarity	NPC232727
0.6995	Remote Similarity	NPC474798
0.6995	Remote Similarity	NPC132642
0.6986	Remote Similarity	NPC48353
0.6985	Remote Similarity	NPC84853
0.6985	Remote Similarity	NPC475190
0.6985	Remote Similarity	NPC230403
0.6983	Remote Similarity	NPC161292
0.6981	Remote Similarity	NPC173080
0.698	Remote Similarity	NPC476167
0.6971	Remote Similarity	NPC167860
0.6971	Remote Similarity	NPC123976
0.6963	Remote Similarity	NPC473432
0.6957	Remote Similarity	NPC475910
0.6955	Remote Similarity	NPC473182
0.695	Remote Similarity	NPC205934
0.695	Remote Similarity	NPC43787
0.6946	Remote Similarity	NPC11017
0.6944	Remote Similarity	NPC179287
0.6939	Remote Similarity	NPC204385
0.6935	Remote Similarity	NPC48192
0.6931	Remote Similarity	NPC192315
0.693	Remote Similarity	NPC472031
0.693	Remote Similarity	NPC472066
0.693	Remote Similarity	NPC472067
0.6927	Remote Similarity	NPC314954
0.6927	Remote Similarity	NPC162484
0.6923	Remote Similarity	NPC174672
0.6923	Remote Similarity	NPC174758
0.6916	Remote Similarity	NPC128115
0.6916	Remote Similarity	NPC472068
0.6912	Remote Similarity	NPC202503
0.6909	Remote Similarity	NPC101543
0.6908	Remote Similarity	NPC193777
0.6898	Remote Similarity	NPC263439
0.689	Remote Similarity	NPC5145
0.6884	Remote Similarity	NPC310118
0.6884	Remote Similarity	NPC477532
0.6878	Remote Similarity	NPC199277
0.6878	Remote Similarity	NPC135887
0.6869	Remote Similarity	NPC17565
0.6864	Remote Similarity	NPC475253
0.6863	Remote Similarity	NPC329747
0.6861	Remote Similarity	NPC473183
0.6856	Remote Similarity	NPC168486
0.6856	Remote Similarity	NPC222592
0.6854	Remote Similarity	NPC60553
0.6847	Remote Similarity	NPC473184
0.6842	Remote Similarity	NPC473764
0.6842	Remote Similarity	NPC314940
0.6837	Remote Similarity	NPC84478
0.683	Remote Similarity	NPC30540
0.6829	Remote Similarity	NPC267423
0.6829	Remote Similarity	NPC476044
0.6825	Remote Similarity	NPC94157
0.6825	Remote Similarity	NPC264176
0.6825	Remote Similarity	NPC112206
0.6825	Remote Similarity	NPC202605
0.682	Remote Similarity	NPC65277
0.682	Remote Similarity	NPC205372
0.6818	Remote Similarity	NPC74382
0.6818	Remote Similarity	NPC206251
0.6816	Remote Similarity	NPC289786
0.6814	Remote Similarity	NPC187558
0.6812	Remote Similarity	NPC285558
0.681	Remote Similarity	NPC199667
0.6804	Remote Similarity	NPC110151
0.6802	Remote Similarity	NPC329631
0.6796	Remote Similarity	NPC220523
0.6791	Remote Similarity	NPC148409
0.6778	Remote Similarity	NPC471598
0.6771	Remote Similarity	NPC474409
0.6763	Remote Similarity	NPC317572
0.6762	Remote Similarity	NPC473181
0.6757	Remote Similarity	NPC63562
0.6753	Remote Similarity	NPC211997
0.6745	Remote Similarity	NPC473180
0.6742	Remote Similarity	NPC280853
0.6738	Remote Similarity	NPC84508
0.6735	Remote Similarity	NPC206201
0.6735	Remote Similarity	NPC314394
0.6731	Remote Similarity	NPC165349
0.6731	Remote Similarity	NPC118832
0.6731	Remote Similarity	NPC470500
0.6731	Remote Similarity	NPC329708
0.6731	Remote Similarity	NPC47059
0.6731	Remote Similarity	NPC264166
0.6731	Remote Similarity	NPC274291
0.6729	Remote Similarity	NPC274982
0.6728	Remote Similarity	NPC60621
0.6727	Remote Similarity	NPC187145
0.672	Remote Similarity	NPC315257
0.6717	Remote Similarity	NPC94943

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC110741 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	241
0.1-0.2	767
0.2-0.3	1049
0.3-0.4	1467
0.4-0.5	3005
0.5-0.6	1853
0.6-0.7	717
0.7-0.8	62
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
0.7935	Intermediate Similarity	NPD5083	Clinical (unspecified phase)
0.7749	Intermediate Similarity	NPD6861	Clinical (unspecified phase)
0.7668	Intermediate Similarity	NPD1622	Discontinued
0.7634	Intermediate Similarity	NPD4204	Approved
0.7634	Intermediate Similarity	NPD4203	Approved
0.7565	Intermediate Similarity	NPD6590	Discontinued
0.7552	Intermediate Similarity	NPD4372	Phase 1
0.7538	Intermediate Similarity	NPD5530	Phase 1
0.75	Intermediate Similarity	NPD7222	Phase 2
0.75	Intermediate Similarity	NPD5417	Clinical (unspecified phase)
0.7438	Intermediate Similarity	NPD4502	Phase 2
0.7435	Intermediate Similarity	NPD6393	Clinical (unspecified phase)
0.7418	Intermediate Similarity	NPD7284	Clinical (unspecified phase)
0.7376	Intermediate Similarity	NPD5863	Clinical (unspecified phase)
0.7371	Intermediate Similarity	NPD6569	Phase 2
0.7353	Intermediate Similarity	NPD4131	Phase 3
0.7347	Intermediate Similarity	NPD5512	Phase 3
0.7327	Intermediate Similarity	NPD7452	Approved
0.7327	Intermediate Similarity	NPD7453	Approved
0.7297	Intermediate Similarity	NPD4724	Clinical (unspecified phase)
0.7296	Intermediate Similarity	NPD6491	Clinical (unspecified phase)
0.7295	Intermediate Similarity	NPD2433	Clinical (unspecified phase)
0.7292	Intermediate Similarity	NPD5256	Discontinued
0.7277	Intermediate Similarity	NPD3003	Approved
0.7259	Intermediate Similarity	NPD6550	Discontinued
0.7259	Intermediate Similarity	NPD774	Phase 3
0.7222	Intermediate Similarity	NPD6988	Phase 1
0.7198	Intermediate Similarity	NPD2314	Clinical (unspecified phase)
0.7198	Intermediate Similarity	NPD2772	Clinical (unspecified phase)
0.7196	Intermediate Similarity	NPD6159	Phase 2
0.719	Intermediate Similarity	NPD3875	Discontinued
0.719	Intermediate Similarity	NPD7194	Discontinued
0.7172	Intermediate Similarity	NPD3477	Phase 2
0.7172	Intermediate Similarity	NPD3478	Clinical (unspecified phase)
0.7163	Intermediate Similarity	NPD5903	Approved
0.7163	Intermediate Similarity	NPD5902	Approved
0.7156	Intermediate Similarity	NPD5930	Phase 3
0.7156	Intermediate Similarity	NPD3838	Phase 3
0.715	Intermediate Similarity	NPD1768	Approved
0.715	Intermediate Similarity	NPD5547	Clinical (unspecified phase)
0.7136	Intermediate Similarity	NPD6769	Clinical (unspecified phase)
0.7117	Intermediate Similarity	NPD8117	Approved
0.7117	Intermediate Similarity	NPD8116	Phase 3
0.7114	Intermediate Similarity	NPD1739	Approved
0.7114	Intermediate Similarity	NPD1740	Approved
0.7112	Intermediate Similarity	NPD565	Phase 2
0.7104	Intermediate Similarity	NPD6060	Clinical (unspecified phase)
0.7103	Intermediate Similarity	NPD6246	Approved
0.7101	Intermediate Similarity	NPD5416	Discontinued
0.7095	Intermediate Similarity	NPD1744	Approved
0.7077	Intermediate Similarity	NPD1034	Phase 3
0.7077	Intermediate Similarity	NPD1033	Clinical (unspecified phase)
0.7073	Intermediate Similarity	NPD5429	Discontinued
0.7068	Intermediate Similarity	NPD3920	Phase 2
0.7059	Intermediate Similarity	NPD4795	Phase 2
0.7042	Intermediate Similarity	NPD7726	Phase 1
0.7024	Intermediate Similarity	NPD4305	Clinical (unspecified phase)
0.7019	Intermediate Similarity	NPD7703	Clinical (unspecified phase)
0.7019	Intermediate Similarity	NPD2540	Clinical (unspecified phase)
0.7019	Intermediate Similarity	NPD3570	Phase 2
0.7005	Intermediate Similarity	NPD4081	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD2951	Discontinued
0.6991	Remote Similarity	NPD1603	Discontinued
0.6991	Remote Similarity	NPD7426	Phase 1
0.6991	Remote Similarity	NPD7674	Phase 3
0.6991	Remote Similarity	NPD7676	Clinical (unspecified phase)
0.6991	Remote Similarity	NPD7675	Phase 3
0.699	Remote Similarity	NPD6290	Phase 2
0.6981	Remote Similarity	NPD6985	Discontinued
0.6967	Remote Similarity	NPD6643	Discontinued
0.6965	Remote Similarity	NPD2952	Discontinued
0.6963	Remote Similarity	NPD4354	Approved
0.696	Remote Similarity	NPD8324	Phase 2
0.6959	Remote Similarity	NPD6553	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD5658	Approved
0.6954	Remote Similarity	NPD4021	Phase 2
0.695	Remote Similarity	NPD3324	Clinical (unspecified phase)
0.6947	Remote Similarity	NPD6607	Clinical (unspecified phase)
0.6938	Remote Similarity	NPD3939	Suspended
0.6933	Remote Similarity	NPD7067	Approved
0.6933	Remote Similarity	NPD7068	Approved
0.693	Remote Similarity	NPD1856	Discontinued
0.6919	Remote Similarity	NPD7538	Clinical (unspecified phase)
0.6912	Remote Similarity	NPD1273	Discontinued
0.6908	Remote Similarity	NPD1392	Approved
0.6905	Remote Similarity	NPD4927	Discontinued
0.6898	Remote Similarity	NPD862	Approved
0.6898	Remote Similarity	NPD861	Approved
0.6898	Remote Similarity	NPD863	Approved
0.6898	Remote Similarity	NPD6306	Phase 2
0.6898	Remote Similarity	NPD983	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD2176	Approved
0.6897	Remote Similarity	NPD2175	Phase 3
0.6897	Remote Similarity	NPD2177	Approved
0.689	Remote Similarity	NPD5420	Discontinued
0.6888	Remote Similarity	NPD6227	Discontinued
0.6885	Remote Similarity	NPD789	Phase 2
0.6881	Remote Similarity	NPD2476	Clinical (unspecified phase)
0.6878	Remote Similarity	NPD6494	Phase 2
0.6878	Remote Similarity	NPD7558	Phase 2
0.6878	Remote Similarity	NPD6872	Clinical (unspecified phase)
0.6866	Remote Similarity	NPD3396	Approved
0.6866	Remote Similarity	NPD6251	Discontinued
0.6866	Remote Similarity	NPD3395	Approved
0.6863	Remote Similarity	NPD1838	Clinical (unspecified phase)
0.6863	Remote Similarity	NPD4396	Clinical (unspecified phase)
0.686	Remote Similarity	NPD3842	Clinical (unspecified phase)
0.6858	Remote Similarity	NPD7413	Phase 3
0.6857	Remote Similarity	NPD7468	Clinical (unspecified phase)
0.6852	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.6835	Remote Similarity	NPD5640	Discontinued
0.6829	Remote Similarity	NPD6592	Clinical (unspecified phase)
0.6822	Remote Similarity	NPD7395	Discontinued
0.6822	Remote Similarity	NPD5632	Approved
0.6821	Remote Similarity	NPD3037	Phase 1
0.6821	Remote Similarity	NPD7414	Clinical (unspecified phase)
0.6814	Remote Similarity	NPD4548	Discontinued
0.6812	Remote Similarity	NPD3946	Clinical (unspecified phase)
0.6806	Remote Similarity	NPD4881	Clinical (unspecified phase)
0.6802	Remote Similarity	NPD2762	Phase 2
0.6802	Remote Similarity	NPD4889	Approved
0.6802	Remote Similarity	NPD6741	Clinical (unspecified phase)
0.68	Remote Similarity	NPD2921	Clinical (unspecified phase)
0.6797	Remote Similarity	NPD6743	Phase 2
0.6797	Remote Similarity	NPD6742	Phase 2
0.6794	Remote Similarity	NPD7467	Discontinued
0.6792	Remote Similarity	NPD3945	Discontinued
0.6792	Remote Similarity	NPD5945	Phase 1
0.6792	Remote Similarity	NPD5944	Phase 1
0.6788	Remote Similarity	NPD4498	Clinical (unspecified phase)
0.6787	Remote Similarity	NPD1505	Phase 2
0.6782	Remote Similarity	NPD1602	Discontinued
0.6782	Remote Similarity	NPD3810	Clinical (unspecified phase)
0.6777	Remote Similarity	NPD6220	Phase 3
0.6777	Remote Similarity	NPD5936	Approved
0.6777	Remote Similarity	NPD5939	Approved
0.6763	Remote Similarity	NPD6991	Approved
0.6761	Remote Similarity	NPD6140	Clinical (unspecified phase)
0.6753	Remote Similarity	NPD4072	Approved
0.6753	Remote Similarity	NPD4071	Approved
0.6751	Remote Similarity	NPD1334	Clinical (unspecified phase)
0.675	Remote Similarity	NPD5316	Approved
0.6745	Remote Similarity	NPD7069	Discontinued
0.6745	Remote Similarity	NPD6202	Discontinued
0.6742	Remote Similarity	NPD8512	Phase 3
0.674	Remote Similarity	NPD6716	Phase 1
0.6739	Remote Similarity	NPD2882	Phase 1
0.6734	Remote Similarity	NPD2383	Phase 1
0.6733	Remote Similarity	NPD4551	Phase 2
0.6732	Remote Similarity	NPD5999	Phase 2
0.6731	Remote Similarity	NPD4038	Approved
0.6731	Remote Similarity	NPD4039	Approved
0.6731	Remote Similarity	NPD4036	Approved
0.6731	Remote Similarity	NPD4122	Approved
0.6731	Remote Similarity	NPD4033	Approved
0.6731	Remote Similarity	NPD31	Approved
0.6731	Remote Similarity	NPD4034	Approved
0.6731	Remote Similarity	NPD4037	Approved
0.6731	Remote Similarity	NPD32	Approved
0.6731	Remote Similarity	NPD4035	Approved
0.6729	Remote Similarity	NPD8510	Clinical (unspecified phase)
0.6729	Remote Similarity	NPD5612	Discontinued
0.6727	Remote Similarity	NPD7268	Clinical (unspecified phase)
0.6718	Remote Similarity	NPD3370	Clinical (unspecified phase)
0.6716	Remote Similarity	NPD4148	Approved
0.6716	Remote Similarity	NPD4673	Phase 2
0.6713	Remote Similarity	NPD6500	Approved
0.6713	Remote Similarity	NPD6501	Approved
0.6711	Remote Similarity	NPD4368	Phase 2
0.6711	Remote Similarity	NPD6573	Phase 3
0.6711	Remote Similarity	NPD6572	Phase 2
0.671	Remote Similarity	NPD5482	Discontinued
0.6702	Remote Similarity	NPD1418	Phase 2
0.6702	Remote Similarity	NPD9398	Clinical (unspecified phase)
0.67	Remote Similarity	NPD4418	Discontinued
0.6699	Remote Similarity	NPD6150	Discontinued
0.6697	Remote Similarity	NPD1954	Phase 1
0.6697	Remote Similarity	NPD7221	Approved
0.6697	Remote Similarity	NPD7219	Approved
0.6696	Remote Similarity	NPD5877	Phase 3
0.6696	Remote Similarity	NPD5876	Phase 3
0.6684	Remote Similarity	NPD5078	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD9383	Approved
0.6684	Remote Similarity	NPD9382	Approved
0.6684	Remote Similarity	NPD4671	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD4670	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD4669	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD9574	Clinical (unspecified phase)
0.6683	Remote Similarity	NPD772	Phase 3
0.6683	Remote Similarity	NPD3921	Approved
0.6683	Remote Similarity	NPD3922	Approved
0.6683	Remote Similarity	NPD3923	Approved
0.6683	Remote Similarity	NPD3924	Approved
0.6683	Remote Similarity	NPD7889	Clinical (unspecified phase)
0.6682	Remote Similarity	NPD3263	Phase 3
0.6681	Remote Similarity	NPD2414	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD5479	Discontinued
0.6667	Remote Similarity	NPD5751	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD5022	Discontinued
0.6667	Remote Similarity	NPD8109	Clinical (unspecified phase)

Structure

CID110741 OpenBabel06191715462D 26 28 0 0 0 0 0 0 0 0999 V2000 -4.3301 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -7.0000 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 -2.5981 -4.5000 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 -2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -5.5000 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 1.7321 -0.0000 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 2.5981 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 -2.5981 -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 0 0 0 0 0 0 0 0 0 0 -3.4641 -6.0000 0.0000 C 0 0 0 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 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 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 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 1 15 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 5 11 1 0 0 0 0 6 10 2 0 0 0 0 6 12 1 0 0 0 0 7 15 2 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 11 19 2 0 0 0 0 12 20 2 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 26 1 0 0 0 0 17 21 2 0 0 0 0 17 24 1 0 0 0 0 18 22 1 0 0 0 0 18 23 2 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL3092700
ZINC

Physicochemical Properties

Molecular Weight:	348.18
ALogP:	2.1856
MLogP:	3.44
XLogP:	5.224
# Rotatable Bonds:	10
Polar Surface Area:	55.24
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	26

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