NPASS Natural Product

Natural Product: NPC474826

Natural Product ID:	NPC474826
Common Name:	Laurenditerpenol
IUPAC Name:	(1S)-3-methyl-6-[4-[(1S,2R,3R,4R)-1,2,4-trimethyl-7-oxabicyclo[2.2.1]heptan-3-yl]butan-2-yl]cyclohex-2-en-1-ol
Synonyms:	Laurenditerpenol
Molecular Formula:	C20H34O2
Standard InCHIKey:	JTUWBMRONSWGPE-ICSQUKMHSA-N
Standard InCHI:	InChI=1S/C20H34O2/c1-13-6-8-16(18(21)12-13)14(2)7-9-17-15(3)19(4)10-11-20(17,5)22-19/h12,14-18,21H,6-11H2,1-5H3/t14?,15-,16?,17-,18-,19+,20-/m1/s1
Canonical SMILES:	CC1=C[C@H](C(CC1)C(CC[C@@H]1[C@@H](C)[C@]2(O[C@]1(C)CC2)C)C)O
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
NPO22651	Laurencia intricata	Species	Rhodomelaceae	Eukaryota				PMID[15620241]

Biological Activity

Activity Type	# Activity
EC50	1
IC50	2
Others	9

Activity Type	# Activity
Cell Line	8
Others	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT396	Cell Line	T47D	Homo sapiens	Inhibition	=	80	%	10869203
NPT396	Cell Line	T47D	Homo sapiens	Inhibition	=	55	%	10869203
NPT396	Cell Line	T47D	Homo sapiens	Inhibition	<	50	%	10869203
NPT396	Cell Line	T47D	Homo sapiens	Inhibition	=	50	%	10869203
NPT2	Others	Unspecified		Inhibition	=	88	%	10869203
NPT2	Others	Unspecified		IC50	=	400	nM	10869203
NPT82	Cell Line	MDA-MB-231	Homo sapiens	Inhibition	<	50	%	10869203
NPT83	Cell Line	MCF7	Homo sapiens	Inhibition	<	50	%	10869203
NPT189	Cell Line	Vero	Chlorocebus aethiops	Inhibition	<	50	%	PubChem BioAssay data set
NPT134	Cell Line	SK-BR-3	Homo sapiens	Inhibition	=	63	%	PubChem BioAssay data set
NPT2	Others	Unspecified		IC50	=	800	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		EC50	=	400	nM	PubChem BioAssay data set

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 NPC474826 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	86
0.1-0.2	760
0.2-0.3	3313
0.3-0.4	10212
0.4-0.5	7351
0.5-0.6	5375
0.6-0.7	3164
0.7-0.8	608
0.8-0.85	15
0.85-0.9	2
0.9-0.95	0
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC477427
1.0	High Similarity	NPC477426
1.0	High Similarity	NPC477425
0.8608	High Similarity	NPC155521
0.8514	High Similarity	NPC23954
0.84	Intermediate Similarity	NPC265485
0.84	Intermediate Similarity	NPC220939
0.8312	Intermediate Similarity	NPC265588
0.8289	Intermediate Similarity	NPC476366
0.8289	Intermediate Similarity	NPC201048
0.8205	Intermediate Similarity	NPC470711
0.8205	Intermediate Similarity	NPC470758
0.8171	Intermediate Similarity	NPC474047
0.8148	Intermediate Similarity	NPC87489
0.8133	Intermediate Similarity	NPC34834
0.8095	Intermediate Similarity	NPC476948
0.8077	Intermediate Similarity	NPC470749
0.8026	Intermediate Similarity	NPC167706
0.8	Intermediate Similarity	NPC30986
0.8	Intermediate Similarity	NPC209430
0.7975	Intermediate Similarity	NPC91594
0.7973	Intermediate Similarity	NPC114651
0.7955	Intermediate Similarity	NPC144202
0.7952	Intermediate Similarity	NPC231310
0.7952	Intermediate Similarity	NPC470077
0.7949	Intermediate Similarity	NPC32832
0.7927	Intermediate Similarity	NPC202389
0.7927	Intermediate Similarity	NPC122945
0.7927	Intermediate Similarity	NPC218616
0.7927	Intermediate Similarity	NPC49964
0.7927	Intermediate Similarity	NPC296701
0.7927	Intermediate Similarity	NPC109938
0.7927	Intermediate Similarity	NPC470049
0.7927	Intermediate Similarity	NPC471408
0.7901	Intermediate Similarity	NPC295131
0.7901	Intermediate Similarity	NPC206062
0.7887	Intermediate Similarity	NPC66020
0.7882	Intermediate Similarity	NPC166857
0.7875	Intermediate Similarity	NPC476314
0.7875	Intermediate Similarity	NPC11908
0.7867	Intermediate Similarity	NPC96484
0.7857	Intermediate Similarity	NPC274448
0.7841	Intermediate Similarity	NPC27531
0.7838	Intermediate Similarity	NPC326310
0.7838	Intermediate Similarity	NPC202017
0.7831	Intermediate Similarity	NPC475789
0.7821	Intermediate Similarity	NPC306727
0.7805	Intermediate Similarity	NPC264245
0.7805	Intermediate Similarity	NPC249423
0.7805	Intermediate Similarity	NPC476646
0.7792	Intermediate Similarity	NPC242992
0.7792	Intermediate Similarity	NPC164022
0.7792	Intermediate Similarity	NPC477792
0.7792	Intermediate Similarity	NPC471272
0.7778	Intermediate Similarity	NPC47982
0.7778	Intermediate Similarity	NPC84694
0.7778	Intermediate Similarity	NPC28862
0.7778	Intermediate Similarity	NPC143182
0.7778	Intermediate Similarity	NPC321867
0.7778	Intermediate Similarity	NPC81306
0.7778	Intermediate Similarity	NPC207007
0.7778	Intermediate Similarity	NPC68679
0.7778	Intermediate Similarity	NPC109546
0.7765	Intermediate Similarity	NPC261266
0.7765	Intermediate Similarity	NPC6391
0.7763	Intermediate Similarity	NPC471560
0.775	Intermediate Similarity	NPC40049
0.775	Intermediate Similarity	NPC214570
0.7738	Intermediate Similarity	NPC205845
0.7738	Intermediate Similarity	NPC238485
0.7722	Intermediate Similarity	NPC313185
0.7711	Intermediate Similarity	NPC256112
0.7711	Intermediate Similarity	NPC101462
0.7711	Intermediate Similarity	NPC304285
0.7701	Intermediate Similarity	NPC477917
0.7692	Intermediate Similarity	NPC182717
0.7692	Intermediate Similarity	NPC130665
0.7683	Intermediate Similarity	NPC209944
0.7683	Intermediate Similarity	NPC96362
0.7683	Intermediate Similarity	NPC241290
0.7683	Intermediate Similarity	NPC164840
0.7683	Intermediate Similarity	NPC234193
0.7674	Intermediate Similarity	NPC149224
0.7674	Intermediate Similarity	NPC245004
0.7662	Intermediate Similarity	NPC92801
0.7654	Intermediate Similarity	NPC474216
0.7654	Intermediate Similarity	NPC167891
0.7654	Intermediate Similarity	NPC285761
0.7654	Intermediate Similarity	NPC83351
0.7654	Intermediate Similarity	NPC275910
0.7647	Intermediate Similarity	NPC318390
0.7647	Intermediate Similarity	NPC157257
0.7647	Intermediate Similarity	NPC470360
0.7647	Intermediate Similarity	NPC266511
0.7639	Intermediate Similarity	NPC240506
0.7632	Intermediate Similarity	NPC471238
0.7632	Intermediate Similarity	NPC208999
0.7625	Intermediate Similarity	NPC73875
0.7625	Intermediate Similarity	NPC244488
0.7625	Intermediate Similarity	NPC202642
0.7625	Intermediate Similarity	NPC247325
0.7625	Intermediate Similarity	NPC46160
0.7625	Intermediate Similarity	NPC189883
0.7625	Intermediate Similarity	NPC253190
0.7619	Intermediate Similarity	NPC317458
0.7619	Intermediate Similarity	NPC470558
0.7619	Intermediate Similarity	NPC132635
0.7619	Intermediate Similarity	NPC476927
0.7619	Intermediate Similarity	NPC474634
0.7619	Intermediate Similarity	NPC82623
0.7614	Intermediate Similarity	NPC295668
0.7614	Intermediate Similarity	NPC77796
0.7614	Intermediate Similarity	NPC92885
0.7614	Intermediate Similarity	NPC476226
0.76	Intermediate Similarity	NPC327815
0.76	Intermediate Similarity	NPC267027
0.7595	Intermediate Similarity	NPC469533
0.7595	Intermediate Similarity	NPC100334
0.7595	Intermediate Similarity	NPC91858
0.7595	Intermediate Similarity	NPC469593
0.7595	Intermediate Similarity	NPC477138
0.7595	Intermediate Similarity	NPC469534
0.7595	Intermediate Similarity	NPC243342
0.7595	Intermediate Similarity	NPC309178
0.759	Intermediate Similarity	NPC47761
0.759	Intermediate Similarity	NPC7505
0.759	Intermediate Similarity	NPC474731
0.759	Intermediate Similarity	NPC474759
0.759	Intermediate Similarity	NPC23852
0.759	Intermediate Similarity	NPC209620
0.759	Intermediate Similarity	NPC474752
0.759	Intermediate Similarity	NPC474683
0.759	Intermediate Similarity	NPC82986
0.7586	Intermediate Similarity	NPC133588
0.7586	Intermediate Similarity	NPC471952
0.7568	Intermediate Similarity	NPC290367
0.7568	Intermediate Similarity	NPC225415
0.7564	Intermediate Similarity	NPC471271
0.7564	Intermediate Similarity	NPC471268
0.7564	Intermediate Similarity	NPC110799
0.7561	Intermediate Similarity	NPC291379
0.7561	Intermediate Similarity	NPC242767
0.7561	Intermediate Similarity	NPC476701
0.7561	Intermediate Similarity	NPC273410
0.7561	Intermediate Similarity	NPC1319
0.7561	Intermediate Similarity	NPC80530
0.7558	Intermediate Similarity	NPC125399
0.7558	Intermediate Similarity	NPC299068
0.7534	Intermediate Similarity	NPC194208
0.7534	Intermediate Similarity	NPC79576
0.7534	Intermediate Similarity	NPC282694
0.7532	Intermediate Similarity	NPC329989
0.7532	Intermediate Similarity	NPC239373
0.7532	Intermediate Similarity	NPC16964
0.7532	Intermediate Similarity	NPC9942
0.7532	Intermediate Similarity	NPC474248
0.7531	Intermediate Similarity	NPC34177
0.7531	Intermediate Similarity	NPC476703
0.7531	Intermediate Similarity	NPC157996
0.7531	Intermediate Similarity	NPC90979
0.7531	Intermediate Similarity	NPC471798
0.7531	Intermediate Similarity	NPC40394
0.7531	Intermediate Similarity	NPC198968
0.7531	Intermediate Similarity	NPC283619
0.7531	Intermediate Similarity	NPC318495
0.7531	Intermediate Similarity	NPC472805
0.7531	Intermediate Similarity	NPC101475
0.7531	Intermediate Similarity	NPC155986
0.7529	Intermediate Similarity	NPC306951
0.7529	Intermediate Similarity	NPC185568
0.7529	Intermediate Similarity	NPC15534
0.7529	Intermediate Similarity	NPC295799
0.7529	Intermediate Similarity	NPC46320
0.75	Intermediate Similarity	NPC475931
0.75	Intermediate Similarity	NPC69649
0.75	Intermediate Similarity	NPC189972
0.75	Intermediate Similarity	NPC20946
0.75	Intermediate Similarity	NPC122239
0.75	Intermediate Similarity	NPC66566
0.75	Intermediate Similarity	NPC470361
0.75	Intermediate Similarity	NPC115607
0.75	Intermediate Similarity	NPC12696
0.75	Intermediate Similarity	NPC313179
0.75	Intermediate Similarity	NPC50964
0.75	Intermediate Similarity	NPC2524
0.75	Intermediate Similarity	NPC30166
0.75	Intermediate Similarity	NPC257347
0.75	Intermediate Similarity	NPC171148
0.75	Intermediate Similarity	NPC69383
0.75	Intermediate Similarity	NPC121744
0.75	Intermediate Similarity	NPC322353
0.75	Intermediate Similarity	NPC291503
0.75	Intermediate Similarity	NPC141071
0.75	Intermediate Similarity	NPC477923
0.75	Intermediate Similarity	NPC118508
0.75	Intermediate Similarity	NPC259299
0.75	Intermediate Similarity	NPC82337
0.75	Intermediate Similarity	NPC68703
0.75	Intermediate Similarity	NPC128066
0.75	Intermediate Similarity	NPC471723

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC474826 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	108
0.1-0.2	1280
0.2-0.3	4184
0.3-0.4	2437
0.4-0.5	743
0.5-0.6	255
0.6-0.7	144
0.7-0.8	10
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
0.7778	Intermediate Similarity	NPD368	Approved
0.7561	Intermediate Similarity	NPD7645	Phase 2
0.75	Intermediate Similarity	NPD8264	Approved
0.747	Intermediate Similarity	NPD7525	Registered
0.7284	Intermediate Similarity	NPD7339	Approved
0.7284	Intermediate Similarity	NPD6942	Approved
0.7195	Intermediate Similarity	NPD3701	Clinical (unspecified phase)
0.7183	Intermediate Similarity	NPD342	Phase 1
0.7079	Intermediate Similarity	NPD4751	Clinical (unspecified phase)
0.7011	Intermediate Similarity	NPD6695	Phase 3
0.6951	Remote Similarity	NPD6924	Approved
0.6951	Remote Similarity	NPD6926	Approved
0.6932	Remote Similarity	NPD7338	Clinical (unspecified phase)
0.686	Remote Similarity	NPD6930	Phase 2
0.686	Remote Similarity	NPD6931	Approved
0.6824	Remote Similarity	NPD7322	Clinical (unspecified phase)
0.6804	Remote Similarity	NPD7640	Approved
0.6804	Remote Similarity	NPD7639	Approved
0.6786	Remote Similarity	NPD6933	Approved
0.6778	Remote Similarity	NPD3618	Phase 1
0.6744	Remote Similarity	NPD6929	Approved
0.6742	Remote Similarity	NPD4786	Approved
0.6739	Remote Similarity	NPD5328	Approved
0.6707	Remote Similarity	NPD4243	Approved
0.6705	Remote Similarity	NPD3667	Approved
0.6703	Remote Similarity	NPD7750	Discontinued
0.6703	Remote Similarity	NPD7524	Approved
0.6701	Remote Similarity	NPD4225	Approved
0.6701	Remote Similarity	NPD7638	Approved
0.6667	Remote Similarity	NPD7509	Discontinued
0.6667	Remote Similarity	NPD7514	Phase 3
0.6667	Remote Similarity	NPD4748	Discontinued
0.6667	Remote Similarity	NPD7332	Phase 2
0.6596	Remote Similarity	NPD6079	Approved
0.6548	Remote Similarity	NPD4785	Approved
0.6548	Remote Similarity	NPD4784	Approved
0.6526	Remote Similarity	NPD5778	Approved
0.6526	Remote Similarity	NPD5779	Approved
0.6526	Remote Similarity	NPD4202	Approved
0.6512	Remote Similarity	NPD6925	Approved
0.6512	Remote Similarity	NPD5776	Phase 2
0.6506	Remote Similarity	NPD7151	Approved
0.6506	Remote Similarity	NPD7152	Approved
0.6506	Remote Similarity	NPD7150	Approved
0.6484	Remote Similarity	NPD1696	Phase 3
0.6484	Remote Similarity	NPD6893	Approved
0.6463	Remote Similarity	NPD6922	Approved
0.6463	Remote Similarity	NPD6923	Approved
0.6458	Remote Similarity	NPD7748	Approved
0.6444	Remote Similarity	NPD5362	Discontinued
0.6437	Remote Similarity	NPD7145	Approved
0.6421	Remote Similarity	NPD7515	Phase 2
0.6421	Remote Similarity	NPD7087	Discontinued
0.6404	Remote Similarity	NPD6898	Phase 1
0.6404	Remote Similarity	NPD6902	Approved
0.64	Remote Similarity	NPD5344	Discontinued
0.6386	Remote Similarity	NPD7144	Approved
0.6386	Remote Similarity	NPD7143	Approved
0.6383	Remote Similarity	NPD6051	Approved
0.6374	Remote Similarity	NPD3133	Approved
0.6374	Remote Similarity	NPD3665	Phase 1
0.6374	Remote Similarity	NPD3666	Approved
0.6354	Remote Similarity	NPD6399	Phase 3
0.6346	Remote Similarity	NPD7320	Approved
0.6337	Remote Similarity	NPD5211	Phase 2
0.6322	Remote Similarity	NPD6932	Approved
0.6311	Remote Similarity	NPD5739	Approved
0.6311	Remote Similarity	NPD6675	Approved
0.6311	Remote Similarity	NPD6402	Approved
0.6311	Remote Similarity	NPD7128	Approved
0.6304	Remote Similarity	NPD6082	Clinical (unspecified phase)
0.6292	Remote Similarity	NPD4819	Approved
0.6292	Remote Similarity	NPD5790	Clinical (unspecified phase)
0.6292	Remote Similarity	NPD4821	Approved
0.6292	Remote Similarity	NPD4820	Approved
0.6292	Remote Similarity	NPD4822	Approved
0.6282	Remote Similarity	NPD1145	Discontinued
0.6279	Remote Similarity	NPD4190	Phase 3
0.6279	Remote Similarity	NPD5275	Approved
0.6264	Remote Similarity	NPD7154	Phase 3
0.6264	Remote Similarity	NPD5331	Approved
0.6264	Remote Similarity	NPD5332	Approved
0.6263	Remote Similarity	NPD4755	Approved
0.6263	Remote Similarity	NPD7902	Approved
0.6238	Remote Similarity	NPD4159	Approved
0.6237	Remote Similarity	NPD4519	Discontinued
0.6237	Remote Similarity	NPD4623	Approved
0.6222	Remote Similarity	NPD4790	Discontinued
0.6214	Remote Similarity	NPD5141	Approved
0.6211	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.6211	Remote Similarity	NPD6101	Approved
0.6196	Remote Similarity	NPD6400	Clinical (unspecified phase)
0.619	Remote Similarity	NPD6899	Approved
0.619	Remote Similarity	NPD6881	Approved
0.6184	Remote Similarity	NPD4219	Approved
0.6182	Remote Similarity	NPD7115	Discovery
0.618	Remote Similarity	NPD4195	Approved
0.618	Remote Similarity	NPD6683	Phase 2
0.6176	Remote Similarity	NPD7632	Discontinued
0.617	Remote Similarity	NPD4250	Approved
0.617	Remote Similarity	NPD4251	Approved
0.6162	Remote Similarity	NPD4697	Phase 3
0.6162	Remote Similarity	NPD5221	Approved
0.6162	Remote Similarity	NPD5220	Clinical (unspecified phase)
0.6162	Remote Similarity	NPD5222	Approved
0.6139	Remote Similarity	NPD5286	Approved
0.6139	Remote Similarity	NPD6648	Approved
0.6139	Remote Similarity	NPD5285	Approved
0.6139	Remote Similarity	NPD4700	Approved
0.6139	Remote Similarity	NPD4696	Approved
0.6132	Remote Similarity	NPD6372	Approved
0.6132	Remote Similarity	NPD6373	Approved
0.6129	Remote Similarity	NPD1694	Approved
0.6129	Remote Similarity	NPD7520	Clinical (unspecified phase)
0.6105	Remote Similarity	NPD6903	Approved
0.61	Remote Similarity	NPD6083	Phase 2
0.61	Remote Similarity	NPD5173	Approved
0.61	Remote Similarity	NPD6084	Phase 2
0.6095	Remote Similarity	NPD5701	Approved
0.6095	Remote Similarity	NPD5697	Approved
0.6082	Remote Similarity	NPD7637	Suspended
0.6082	Remote Similarity	NPD6411	Approved
0.6078	Remote Similarity	NPD5223	Approved
0.6075	Remote Similarity	NPD7290	Approved
0.6075	Remote Similarity	NPD7102	Approved
0.6075	Remote Similarity	NPD6883	Approved
0.6067	Remote Similarity	NPD4268	Approved
0.6067	Remote Similarity	NPD5784	Clinical (unspecified phase)
0.6067	Remote Similarity	NPD4271	Approved
0.6064	Remote Similarity	NPD7146	Approved
0.6064	Remote Similarity	NPD7334	Approved
0.6064	Remote Similarity	NPD5279	Phase 3
0.6064	Remote Similarity	NPD5330	Approved
0.6064	Remote Similarity	NPD4249	Approved
0.6064	Remote Similarity	NPD7521	Approved
0.6064	Remote Similarity	NPD6409	Approved
0.6064	Remote Similarity	NPD6684	Approved
0.6061	Remote Similarity	NPD6356	Clinical (unspecified phase)
0.6042	Remote Similarity	NPD4753	Phase 2
0.604	Remote Similarity	NPD5290	Discontinued
0.6038	Remote Similarity	NPD6011	Approved
0.6022	Remote Similarity	NPD3668	Phase 3
0.602	Remote Similarity	NPD5781	Clinical (unspecified phase)
0.6019	Remote Similarity	NPD6650	Approved
0.6019	Remote Similarity	NPD5226	Approved
0.6019	Remote Similarity	NPD4633	Approved
0.6019	Remote Similarity	NPD8130	Phase 1
0.6019	Remote Similarity	NPD5224	Approved
0.6019	Remote Similarity	NPD6649	Approved
0.6019	Remote Similarity	NPD6869	Approved
0.6019	Remote Similarity	NPD6617	Approved
0.6019	Remote Similarity	NPD6847	Approved
0.6019	Remote Similarity	NPD5225	Approved
0.6019	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.5982	Remote Similarity	NPD7328	Approved
0.5982	Remote Similarity	NPD7327	Approved
0.5981	Remote Similarity	NPD6014	Approved
0.5981	Remote Similarity	NPD6012	Approved
0.5981	Remote Similarity	NPD6013	Approved
0.5979	Remote Similarity	NPD3168	Discontinued
0.5978	Remote Similarity	NPD4270	Approved
0.5978	Remote Similarity	NPD4269	Approved
0.5978	Remote Similarity	NPD4221	Approved
0.5978	Remote Similarity	NPD4223	Phase 3
0.5976	Remote Similarity	NPD2685	Clinical (unspecified phase)
0.5963	Remote Similarity	NPD6882	Approved
0.5963	Remote Similarity	NPD6053	Discontinued
0.5963	Remote Similarity	NPD8297	Approved
0.5962	Remote Similarity	NPD5175	Approved
0.5962	Remote Similarity	NPD4754	Approved
0.5962	Remote Similarity	NPD5174	Approved
0.596	Remote Similarity	NPD7900	Approved
0.596	Remote Similarity	NPD7901	Clinical (unspecified phase)
0.5957	Remote Similarity	NPD5329	Approved
0.5938	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.5929	Remote Similarity	NPD7516	Approved
0.5918	Remote Similarity	NPD8034	Phase 2
0.5918	Remote Similarity	NPD8035	Phase 2
0.5915	Remote Similarity	NPD4265	Approved
0.5904	Remote Similarity	NPD7331	Phase 2
0.59	Remote Similarity	NPD5695	Phase 3
0.5895	Remote Similarity	NPD3574	Clinical (unspecified phase)
0.5895	Remote Similarity	NPD5786	Approved
0.5882	Remote Similarity	NPD4267	Clinical (unspecified phase)
0.5877	Remote Similarity	NPD8377	Approved
0.5877	Remote Similarity	NPD8294	Approved
0.5877	Remote Similarity	NPD6059	Approved
0.5877	Remote Similarity	NPD6054	Approved
0.587	Remote Similarity	NPD5369	Approved
0.5862	Remote Similarity	NPD4732	Discontinued
0.5851	Remote Similarity	NPD4197	Approved
0.5849	Remote Similarity	NPD6008	Approved
0.5849	Remote Similarity	NPD4767	Approved
0.5849	Remote Similarity	NPD4768	Approved
0.5833	Remote Similarity	NPD3573	Approved
0.5833	Remote Similarity	NPD384	Approved
0.5833	Remote Similarity	NPD4061	Clinical (unspecified phase)
0.5833	Remote Similarity	NPD385	Approved
0.5826	Remote Similarity	NPD8380	Approved
0.5826	Remote Similarity	NPD8033	Approved

Structure

NPC474826 OpenBabel07101718182D 22 24 0 0 1 0 0 0 0 0999 V2000 6.1750 1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7109 -1.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9789 0.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8041 1.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8041 -1.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3090 -0.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8449 -0.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4430 -0.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9789 -0.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5388 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5388 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4430 1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3090 0.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7109 -0.9045 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1128 0.4045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5769 -0.4045 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1128 -0.4045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5769 0.5955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5878 0.8090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5878 -0.8090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7109 1.0955 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 13 1 0 0 0 0 2 14 1 0 0 0 0 3 15 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 6 0 0 0 16 18 1 0 0 0 0 17 20 1 1 0 0 0 18 21 1 6 0 0 0 19 4 1 6 0 0 0 19 22 1 0 0 0 0 20 5 1 6 0 0 0 20 22 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	11174259
ChEMBL	CHEMBL484229
ZINC

Physicochemical Properties

Molecular Weight:	306.26
ALogP:	1.5536
MLogP:	3.44
XLogP:	4.709
# Rotatable Bonds:	10
Polar Surface Area:	29.46
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	22

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