NPASS Natural Product

Natural Product: NPC107123

Natural Product ID:	NPC107123
Common Name:	7-Hydroxy-8-Methoxy-3-Methyl-10-Oxochromeno[3,2-C]Pyridine-9-Carboxylic Acid
IUPAC Name:	7-hydroxy-8-methoxy-3-methyl-10-oxochromeno[3,2-c]pyridine-9-carboxylic acid
Synonyms:
Molecular Formula:	C15H11NO6
Standard InCHIKey:	YKFKVOZQQDHYCE-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C15H11NO6/c1-6-3-9-7(5-16-6)13(18)11-10(22-9)4-8(17)14(21-2)12(11)15(19)20/h3-5,17H,1-2H3,(H,19,20)
Canonical SMILES:	COc1c(O)cc2c(c1C(=O)O)c(=O)c1c(o2)cc(nc1)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
NPO30770	Penicillium sp.	Species	Aspergillaceae	Eukaryota				PMID[23972215]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	=	87900	nM	22360639

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 NPC107123 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	356
0.1-0.2	1877
0.2-0.3	6719
0.3-0.4	5850
0.4-0.5	5019
0.5-0.6	8319
0.6-0.7	2487
0.7-0.8	254
0.8-0.85	6
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8913	High Similarity	NPC134637
0.869	High Similarity	NPC119134
0.8298	Intermediate Similarity	NPC15406
0.8253	Intermediate Similarity	NPC246381
0.8097	Intermediate Similarity	NPC473822
0.8091	Intermediate Similarity	NPC183537
0.8091	Intermediate Similarity	NPC77878
0.8026	Intermediate Similarity	NPC469439
0.7944	Intermediate Similarity	NPC471978
0.7942	Intermediate Similarity	NPC302807
0.7935	Intermediate Similarity	NPC473833
0.7924	Intermediate Similarity	NPC90875
0.7918	Intermediate Similarity	NPC478045
0.7915	Intermediate Similarity	NPC233334
0.7895	Intermediate Similarity	NPC129897
0.7884	Intermediate Similarity	NPC148896
0.7884	Intermediate Similarity	NPC180668
0.7884	Intermediate Similarity	NPC471013
0.7884	Intermediate Similarity	NPC124313
0.7878	Intermediate Similarity	NPC471015
0.7849	Intermediate Similarity	NPC471979
0.7846	Intermediate Similarity	NPC85879
0.7846	Intermediate Similarity	NPC53255
0.7814	Intermediate Similarity	NPC13603
0.7807	Intermediate Similarity	NPC146976
0.7801	Intermediate Similarity	NPC84164
0.7801	Intermediate Similarity	NPC207283
0.7797	Intermediate Similarity	NPC201508
0.7792	Intermediate Similarity	NPC54066
0.7773	Intermediate Similarity	NPC475301
0.7773	Intermediate Similarity	NPC326930
0.7763	Intermediate Similarity	NPC236668
0.7759	Intermediate Similarity	NPC210296
0.7755	Intermediate Similarity	NPC10904
0.7754	Intermediate Similarity	NPC24019
0.7727	Intermediate Similarity	NPC224928
0.7682	Intermediate Similarity	NPC253314
0.7676	Intermediate Similarity	NPC166722
0.7675	Intermediate Similarity	NPC220337
0.7673	Intermediate Similarity	NPC324619
0.7673	Intermediate Similarity	NPC475315
0.7659	Intermediate Similarity	NPC328928
0.7657	Intermediate Similarity	NPC255800
0.7657	Intermediate Similarity	NPC96584
0.7645	Intermediate Similarity	NPC253482
0.7635	Intermediate Similarity	NPC189903
0.7635	Intermediate Similarity	NPC182907
0.7633	Intermediate Similarity	NPC475533
0.7629	Intermediate Similarity	NPC134702
0.7625	Intermediate Similarity	NPC35208
0.7625	Intermediate Similarity	NPC475426
0.7617	Intermediate Similarity	NPC94842
0.7598	Intermediate Similarity	NPC295479
0.7598	Intermediate Similarity	NPC220241
0.7593	Intermediate Similarity	NPC108342
0.7577	Intermediate Similarity	NPC193238
0.7574	Intermediate Similarity	NPC210434
0.7574	Intermediate Similarity	NPC122463
0.7551	Intermediate Similarity	NPC475648
0.7542	Intermediate Similarity	NPC250807
0.7542	Intermediate Similarity	NPC57797
0.753	Intermediate Similarity	NPC318068
0.7521	Intermediate Similarity	NPC228377
0.7521	Intermediate Similarity	NPC475601
0.7521	Intermediate Similarity	NPC211920
0.7521	Intermediate Similarity	NPC328186
0.7521	Intermediate Similarity	NPC124029
0.7521	Intermediate Similarity	NPC122968
0.7521	Intermediate Similarity	NPC477787
0.7511	Intermediate Similarity	NPC473850
0.751	Intermediate Similarity	NPC22481
0.75	Intermediate Similarity	NPC96801
0.75	Intermediate Similarity	NPC2905
0.75	Intermediate Similarity	NPC469390
0.75	Intermediate Similarity	NPC150698
0.749	Intermediate Similarity	NPC476995
0.7489	Intermediate Similarity	NPC112206
0.7489	Intermediate Similarity	NPC202605
0.7489	Intermediate Similarity	NPC174049
0.7481	Intermediate Similarity	NPC473639
0.748	Intermediate Similarity	NPC215837
0.7479	Intermediate Similarity	NPC473506
0.7469	Intermediate Similarity	NPC469748
0.7469	Intermediate Similarity	NPC49672
0.7468	Intermediate Similarity	NPC76565
0.7458	Intermediate Similarity	NPC118189
0.7458	Intermediate Similarity	NPC469792
0.7457	Intermediate Similarity	NPC114468
0.7448	Intermediate Similarity	NPC475631
0.7448	Intermediate Similarity	NPC146824
0.7448	Intermediate Similarity	NPC475600
0.7448	Intermediate Similarity	NPC476110
0.7448	Intermediate Similarity	NPC87152
0.7437	Intermediate Similarity	NPC475498
0.7437	Intermediate Similarity	NPC477902
0.7437	Intermediate Similarity	NPC475137
0.7434	Intermediate Similarity	NPC155792
0.7432	Intermediate Similarity	NPC470042
0.743	Intermediate Similarity	NPC270515
0.7427	Intermediate Similarity	NPC292416
0.7427	Intermediate Similarity	NPC473689
0.7427	Intermediate Similarity	NPC316841
0.7427	Intermediate Similarity	NPC477906
0.7425	Intermediate Similarity	NPC148391
0.7422	Intermediate Similarity	NPC132385
0.7417	Intermediate Similarity	NPC471190
0.7417	Intermediate Similarity	NPC475362
0.7417	Intermediate Similarity	NPC471977
0.7417	Intermediate Similarity	NPC475644
0.7417	Intermediate Similarity	NPC470486
0.7412	Intermediate Similarity	NPC210256
0.7412	Intermediate Similarity	NPC282346
0.7409	Intermediate Similarity	NPC44354
0.7409	Intermediate Similarity	NPC188400
0.7404	Intermediate Similarity	NPC182853
0.7399	Intermediate Similarity	NPC146724
0.7397	Intermediate Similarity	NPC61350
0.7397	Intermediate Similarity	NPC320324
0.7397	Intermediate Similarity	NPC244839
0.7397	Intermediate Similarity	NPC319880
0.7393	Intermediate Similarity	NPC100734
0.7393	Intermediate Similarity	NPC88923
0.7393	Intermediate Similarity	NPC315634
0.739	Intermediate Similarity	NPC1608
0.7387	Intermediate Similarity	NPC56170
0.7386	Intermediate Similarity	NPC278525
0.7384	Intermediate Similarity	NPC76478
0.7383	Intermediate Similarity	NPC209981
0.7373	Intermediate Similarity	NPC191489
0.7373	Intermediate Similarity	NPC216428
0.7373	Intermediate Similarity	NPC84815
0.7373	Intermediate Similarity	NPC301368
0.7368	Intermediate Similarity	NPC317572
0.7366	Intermediate Similarity	NPC237702
0.7364	Intermediate Similarity	NPC328154
0.7362	Intermediate Similarity	NPC471016
0.7355	Intermediate Similarity	NPC475303
0.7355	Intermediate Similarity	NPC475596
0.7353	Intermediate Similarity	NPC477788
0.735	Intermediate Similarity	NPC264674
0.7344	Intermediate Similarity	NPC476997
0.7344	Intermediate Similarity	NPC476994
0.7336	Intermediate Similarity	NPC327769
0.7336	Intermediate Similarity	NPC475406
0.7333	Intermediate Similarity	NPC285254
0.7331	Intermediate Similarity	NPC62367
0.7325	Intermediate Similarity	NPC30456
0.7319	Intermediate Similarity	NPC470306
0.7319	Intermediate Similarity	NPC42678
0.7319	Intermediate Similarity	NPC477909
0.7319	Intermediate Similarity	NPC477907
0.7314	Intermediate Similarity	NPC476998
0.7314	Intermediate Similarity	NPC476996
0.7311	Intermediate Similarity	NPC477912
0.7311	Intermediate Similarity	NPC7560
0.7306	Intermediate Similarity	NPC38959
0.7306	Intermediate Similarity	NPC327904
0.7303	Intermediate Similarity	NPC13249
0.7295	Intermediate Similarity	NPC172222
0.7292	Intermediate Similarity	NPC26881
0.7288	Intermediate Similarity	NPC6981
0.7288	Intermediate Similarity	NPC475408
0.7288	Intermediate Similarity	NPC471014
0.7284	Intermediate Similarity	NPC304179
0.7284	Intermediate Similarity	NPC472550
0.7284	Intermediate Similarity	NPC217176
0.7284	Intermediate Similarity	NPC48042
0.728	Intermediate Similarity	NPC127026
0.728	Intermediate Similarity	NPC127720
0.728	Intermediate Similarity	NPC101312
0.7269	Intermediate Similarity	NPC160100
0.7265	Intermediate Similarity	NPC472553
0.7265	Intermediate Similarity	NPC253675
0.7261	Intermediate Similarity	NPC148860
0.7257	Intermediate Similarity	NPC294579
0.7257	Intermediate Similarity	NPC144779
0.7253	Intermediate Similarity	NPC470020
0.725	Intermediate Similarity	NPC471980
0.7246	Intermediate Similarity	NPC30570
0.7246	Intermediate Similarity	NPC477910
0.7241	Intermediate Similarity	NPC63041
0.7238	Intermediate Similarity	NPC477903
0.7234	Intermediate Similarity	NPC232225
0.7227	Intermediate Similarity	NPC74360
0.7227	Intermediate Similarity	NPC472555
0.722	Intermediate Similarity	NPC97746
0.7215	Intermediate Similarity	NPC477908
0.7215	Intermediate Similarity	NPC206343
0.7208	Intermediate Similarity	NPC235364
0.7208	Intermediate Similarity	NPC477911
0.7203	Intermediate Similarity	NPC4421
0.7203	Intermediate Similarity	NPC228331
0.72	Intermediate Similarity	NPC316224
0.7198	Intermediate Similarity	NPC284685
0.7197	Intermediate Similarity	NPC477901
0.7195	Intermediate Similarity	NPC170751
0.7194	Intermediate Similarity	NPC203373
0.7191	Intermediate Similarity	NPC116178
0.7188	Intermediate Similarity	NPC472589
0.7186	Intermediate Similarity	NPC16452

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC107123 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	249
0.1-0.2	705
0.2-0.3	1120
0.3-0.4	1831
0.4-0.5	2616
0.5-0.6	2084
0.6-0.7	520
0.7-0.8	35
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9861	High Similarity	NPD1483	Discontinued
0.7901	Intermediate Similarity	NPD6525	Clinical (unspecified phase)
0.7645	Intermediate Similarity	NPD7886	Phase 2
0.7645	Intermediate Similarity	NPD7885	Phase 2
0.7565	Intermediate Similarity	NPD7069	Discontinued
0.7549	Intermediate Similarity	NPD7862	Clinical (unspecified phase)
0.7393	Intermediate Similarity	NPD7803	Approved
0.7373	Intermediate Similarity	NPD7708	Approved
0.7373	Intermediate Similarity	NPD2899	Discontinued
0.7364	Intermediate Similarity	NPD3925	Approved
0.7362	Intermediate Similarity	NPD8091	Phase 3
0.7198	Intermediate Similarity	NPD7956	Approved
0.7198	Intermediate Similarity	NPD7955	Approved
0.7185	Intermediate Similarity	NPD1926	Approved
0.7156	Intermediate Similarity	NPD3921	Approved
0.7156	Intermediate Similarity	NPD3924	Approved
0.7156	Intermediate Similarity	NPD3922	Approved
0.7156	Intermediate Similarity	NPD3923	Approved
0.7154	Intermediate Similarity	NPD8350	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD3217	Phase 2
0.7125	Intermediate Similarity	NPD8479	Phase 2
0.7124	Intermediate Similarity	NPD6361	Phase 2
0.7119	Intermediate Similarity	NPD5866	Approved
0.7119	Intermediate Similarity	NPD5640	Discontinued
0.7109	Intermediate Similarity	NPD4926	Clinical (unspecified phase)
0.7087	Intermediate Similarity	NPD4396	Clinical (unspecified phase)
0.7085	Intermediate Similarity	NPD4373	Phase 2
0.7071	Intermediate Similarity	NPD4989	Phase 2
0.7052	Intermediate Similarity	NPD7417	Discontinued
0.7052	Intermediate Similarity	NPD6790	Phase 1
0.7049	Intermediate Similarity	NPD3263	Phase 3
0.7046	Intermediate Similarity	NPD3816	Phase 1
0.7046	Intermediate Similarity	NPD3815	Phase 1
0.7033	Intermediate Similarity	NPD5022	Discontinued
0.7026	Intermediate Similarity	NPD6477	Clinical (unspecified phase)
0.7016	Intermediate Similarity	NPD6494	Phase 2
0.6964	Remote Similarity	NPD4952	Phase 3
0.6964	Remote Similarity	NPD4889	Approved
0.6964	Remote Similarity	NPD5801	Clinical (unspecified phase)
0.6946	Remote Similarity	NPD7571	Clinical (unspecified phase)
0.6941	Remote Similarity	NPD5488	Discontinued
0.6935	Remote Similarity	NPD6962	Phase 2
0.6929	Remote Similarity	NPD3326	Clinical (unspecified phase)
0.6926	Remote Similarity	NPD5482	Discontinued
0.6906	Remote Similarity	NPD3386	Phase 2
0.6901	Remote Similarity	NPD7395	Discontinued
0.6901	Remote Similarity	NPD6198	Phase 1
0.69	Remote Similarity	NPD4551	Phase 2
0.6897	Remote Similarity	NPD6874	Approved
0.6891	Remote Similarity	NPD648	Clinical (unspecified phase)
0.687	Remote Similarity	NPD5975	Clinical (unspecified phase)
0.6865	Remote Similarity	NPD5805	Approved
0.6855	Remote Similarity	NPD7654	Discontinued
0.6851	Remote Similarity	NPD5513	Phase 2
0.6828	Remote Similarity	NPD6257	Clinical (unspecified phase)
0.6824	Remote Similarity	NPD6716	Phase 1
0.6822	Remote Similarity	NPD2831	Approved
0.682	Remote Similarity	NPD5914	Approved
0.6816	Remote Similarity	NPD5147	Discontinued
0.6811	Remote Similarity	NPD7025	Clinical (unspecified phase)
0.6809	Remote Similarity	NPD956	Clinical (unspecified phase)
0.6786	Remote Similarity	NPD6964	Approved
0.6786	Remote Similarity	NPD6963	Approved
0.678	Remote Similarity	NPD6228	Discontinued
0.677	Remote Similarity	NPD5483	Clinical (unspecified phase)
0.6762	Remote Similarity	NPD4429	Discontinued
0.6759	Remote Similarity	NPD3006	Discontinued
0.6757	Remote Similarity	NPD4369	Phase 2
0.6754	Remote Similarity	NPD7925	Phase 2
0.6754	Remote Similarity	NPD7924	Phase 2
0.6751	Remote Similarity	NPD3946	Clinical (unspecified phase)
0.6743	Remote Similarity	NPD7859	Phase 2
0.6741	Remote Similarity	NPD1620	Clinical (unspecified phase)
0.6741	Remote Similarity	NPD8304	Clinical (unspecified phase)
0.6733	Remote Similarity	NPD1505	Phase 2
0.6722	Remote Similarity	NPD683	Approved
0.6711	Remote Similarity	NPD4375	Approved
0.671	Remote Similarity	NPD6569	Phase 2
0.6708	Remote Similarity	NPD5417	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD7426	Phase 1
0.6706	Remote Similarity	NPD7031	Phase 1
0.6694	Remote Similarity	NPD6568	Discontinued
0.6693	Remote Similarity	NPD8052	Clinical (unspecified phase)
0.668	Remote Similarity	NPD6298	Discontinued
0.668	Remote Similarity	NPD6625	Approved
0.668	Remote Similarity	NPD2921	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD8310	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD3920	Phase 2
0.6667	Remote Similarity	NPD5005	Approved
0.6667	Remote Similarity	NPD5006	Approved
0.6667	Remote Similarity	NPD485	Clinical (unspecified phase)
0.6653	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.6653	Remote Similarity	NPD4131	Phase 3
0.6642	Remote Similarity	NPD7169	Suspended
0.6642	Remote Similarity	NPD4894	Discontinued
0.6641	Remote Similarity	NPD6825	Phase 1
0.6625	Remote Similarity	NPD5429	Discontinued
0.6617	Remote Similarity	NPD5450	Discontinued
0.6615	Remote Similarity	NPD4613	Phase 2
0.6614	Remote Similarity	NPD6741	Clinical (unspecified phase)
0.6614	Remote Similarity	NPD3259	Approved
0.6612	Remote Similarity	NPD5726	Clinical (unspecified phase)
0.6608	Remote Similarity	NPD7414	Clinical (unspecified phase)
0.6599	Remote Similarity	NPD3763	Approved
0.6599	Remote Similarity	NPD6974	Phase 3
0.6598	Remote Similarity	NPD3795	Approved
0.6598	Remote Similarity	NPD3794	Approved
0.6592	Remote Similarity	NPD6531	Approved
0.6592	Remote Similarity	NPD6530	Approved
0.659	Remote Similarity	NPD6276	Discontinued
0.6585	Remote Similarity	NPD3949	Clinical (unspecified phase)
0.6584	Remote Similarity	NPD7703	Clinical (unspecified phase)
0.6584	Remote Similarity	NPD5416	Discontinued
0.6579	Remote Similarity	NPD8461	Discontinued
0.6573	Remote Similarity	NPD7180	Phase 3
0.657	Remote Similarity	NPD4437	Phase 3
0.6559	Remote Similarity	NPD3354	Phase 2
0.6557	Remote Similarity	NPD5922	Phase 3
0.6553	Remote Similarity	NPD5512	Phase 3
0.6552	Remote Similarity	NPD8468	Phase 2
0.6549	Remote Similarity	NPD5751	Clinical (unspecified phase)
0.6548	Remote Similarity	NPD7268	Clinical (unspecified phase)
0.6546	Remote Similarity	NPD4923	Phase 1
0.6542	Remote Similarity	NPD7396	Approved
0.6538	Remote Similarity	NPD6745	Discontinued
0.6537	Remote Similarity	NPD4958	Clinical (unspecified phase)
0.6537	Remote Similarity	NPD4846	Phase 2
0.6535	Remote Similarity	NPD8067	Phase 3
0.6533	Remote Similarity	NPD1923	Clinical (unspecified phase)
0.6525	Remote Similarity	NPD6621	Clinical (unspecified phase)
0.6524	Remote Similarity	NPD2336	Approved
0.6516	Remote Similarity	NPD6567	Clinical (unspecified phase)
0.6516	Remote Similarity	NPD7690	Clinical (unspecified phase)
0.6516	Remote Similarity	NPD7927	Clinical (unspecified phase)
0.6513	Remote Similarity	NPD6219	Discontinued
0.6511	Remote Similarity	NPD3395	Approved
0.6511	Remote Similarity	NPD3396	Approved
0.651	Remote Similarity	NPD5015	Clinical (unspecified phase)
0.6509	Remote Similarity	NPD4021	Phase 2
0.6509	Remote Similarity	NPD6709	Phase 3
0.6506	Remote Similarity	NPD6242	Discontinued
0.6502	Remote Similarity	NPD2821	Approved
0.6502	Remote Similarity	NPD6872	Clinical (unspecified phase)
0.65	Remote Similarity	NPD3322	Phase 1
0.65	Remote Similarity	NPD7064	Clinical (unspecified phase)
0.6498	Remote Similarity	NPD4420	Approved
0.6498	Remote Similarity	NPD7853	Phase 2
0.6494	Remote Similarity	NPD7547	Clinical (unspecified phase)
0.6489	Remote Similarity	NPD6460	Clinical (unspecified phase)
0.6484	Remote Similarity	NPD7558	Phase 2
0.6482	Remote Similarity	NPD4845	Discontinued
0.6482	Remote Similarity	NPD6553	Clinical (unspecified phase)
0.648	Remote Similarity	NPD5507	Approved
0.648	Remote Similarity	NPD5506	Approved
0.6478	Remote Similarity	NPD2433	Clinical (unspecified phase)
0.6478	Remote Similarity	NPD5612	Discontinued
0.6473	Remote Similarity	NPD4034	Approved
0.6473	Remote Similarity	NPD4039	Approved
0.6473	Remote Similarity	NPD4122	Approved
0.6473	Remote Similarity	NPD32	Approved
0.6473	Remote Similarity	NPD4033	Approved
0.6473	Remote Similarity	NPD3298	Approved
0.6473	Remote Similarity	NPD4037	Approved
0.6473	Remote Similarity	NPD4035	Approved
0.6473	Remote Similarity	NPD4038	Approved
0.6473	Remote Similarity	NPD4724	Clinical (unspecified phase)
0.6473	Remote Similarity	NPD31	Approved
0.6473	Remote Similarity	NPD4036	Approved
0.6461	Remote Similarity	NPD4642	Clinical (unspecified phase)
0.6459	Remote Similarity	NPD4333	Phase 1
0.6459	Remote Similarity	NPD7807	Clinical (unspecified phase)
0.6457	Remote Similarity	NPD5014	Discontinued
0.6454	Remote Similarity	NPD2285	Clinical (unspecified phase)
0.6452	Remote Similarity	NPD8327	Clinical (unspecified phase)
0.6452	Remote Similarity	NPD8325	Phase 3
0.6452	Remote Similarity	NPD8326	Phase 3
0.6444	Remote Similarity	NPD4491	Clinical (unspecified phase)
0.6438	Remote Similarity	NPD1898	Discontinued
0.6437	Remote Similarity	NPD4876	Phase 3
0.6437	Remote Similarity	NPD7538	Clinical (unspecified phase)
0.6437	Remote Similarity	NPD4875	Phase 3
0.6437	Remote Similarity	NPD5293	Phase 2
0.6436	Remote Similarity	NPD7689	Approved
0.6431	Remote Similarity	NPD7589	Clinical (unspecified phase)
0.6429	Remote Similarity	NPD4668	Phase 2
0.6426	Remote Similarity	NPD5632	Approved
0.6426	Remote Similarity	NPD2011	Clinical (unspecified phase)
0.6423	Remote Similarity	NPD5908	Clinical (unspecified phase)
0.642	Remote Similarity	NPD7922	Phase 1
0.6419	Remote Similarity	NPD9510	Approved
0.6417	Remote Similarity	NPD4086	Phase 1
0.6417	Remote Similarity	NPD7826	Clinical (unspecified phase)
0.6415	Remote Similarity	NPD8367	Approved
0.6414	Remote Similarity	NPD2307	Discontinued
0.641	Remote Similarity	NPD4081	Clinical (unspecified phase)
0.641	Remote Similarity	NPD7673	Phase 3
0.6409	Remote Similarity	NPD820	Phase 3
0.6408	Remote Similarity	NPD6262	Clinical (unspecified phase)
0.6407	Remote Similarity	NPD5116	Phase 1
0.6405	Remote Similarity	NPD3947	Discontinued

Structure

NPC107123 OpenBabel07101719152D 22 24 0 0 0 0 0 0 0 0999 V2000 -6.0622 -1.5000 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 -4.3301 -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 -4.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -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 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 -1.0000 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 -1.7321 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 -2.5981 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 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 0.0000 0.0000 N 0 0 0 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 -2.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0000 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 0.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 21 1 0 0 0 0 3 6 1 0 0 0 0 3 9 2 0 0 0 0 4 8 2 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 5 16 1 0 0 0 0 6 16 2 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 8 17 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 18 2 0 0 0 0 14 21 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	73349168
ChEMBL	CHEMBL2419350
ZINC

Physicochemical Properties

Molecular Weight:	301.06
ALogP:	-0.7303
MLogP:	2.34
XLogP:	0.988
# Rotatable Bonds:	6
Polar Surface Area:	105.95
# H-Bond Aceptor:	4
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	22

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