NPASS Natural Product

Natural Product: NPC173934

Natural Product ID:	NPC173934
Common Name:	n.a.
IUPAC Name:
Synonyms:	20-Deoxycytochalasin F
Molecular Formula:	C29H37NO4
Standard InCHIKey:	RALXUFVWILFUQT-KATMXRAHSA-N
Standard InCHI:	InChI=1S/C29H37NO4/c1-19-12-7-4-5-10-17-24(31)33-29-22(16-11-13-19)26-28(3,34-26)20(2)25(29)23(30-27(29)32)18-21-14-8-6-9-15-21/h6,8-11,14-17,19-20,22-23,25-26H,4-5,7,12-13,18H2,1-3H3,(H,30,32)/b16-11+,17-10+/t19-,20+,22+,23+,25+,26+,28-,29-/m1/s1
Canonical SMILES:	C[C@@H]1CCCC/C=C/C(=O)O[C@@]23[C@@H](/C=C/C1)[C@@H]1O[C@]1(C)[C@H]([C@H]3[C@@H](N=C2O)Cc1ccccc1)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
NPO32661	phoma sp.	Species	Didymellaceae	Eukaryota	giant jellyfish Nemopilema nomurai			PMID[22483395]

Biological Activity

Activity Type	# Activity
IC50	4

Activity Type	# Activity
Cell Line	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT146	Cell Line	SK-OV-3	Homo sapiens	IC50	=	4190	nM	10217718
NPT147	Cell Line	SK-MEL-2	Homo sapiens	IC50	=	8350	nM	10217718
NPT148	Cell Line	HCT-15	Homo sapiens	IC50	=	3910	nM	10.6019/CHEMBL1201861
NPT81	Cell Line	A549	Homo sapiens	IC50	=	12440	nM	19349520

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 NPC173934 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	105
0.1-0.2	643
0.2-0.3	1359
0.3-0.4	3568
0.4-0.5	9272
0.5-0.6	14234
0.6-0.7	1547
0.7-0.8	141
0.8-0.85	7
0.85-0.9	7
0.9-0.95	3
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
0.9855	High Similarity	NPC201692
0.9638	High Similarity	NPC237240
0.9638	High Similarity	NPC31171
0.9209	High Similarity	NPC111586
0.9209	High Similarity	NPC108852
0.9209	High Similarity	NPC261709
0.8867	High Similarity	NPC156348
0.8816	High Similarity	NPC15506
0.8776	High Similarity	NPC4108
0.875	High Similarity	NPC262216
0.8643	High Similarity	NPC64897
0.8643	High Similarity	NPC90693
0.8551	High Similarity	NPC295478
0.8392	Intermediate Similarity	NPC175870
0.8345	Intermediate Similarity	NPC239770
0.8273	Intermediate Similarity	NPC278097
0.8125	Intermediate Similarity	NPC228511
0.8121	Intermediate Similarity	NPC49565
0.8069	Intermediate Similarity	NPC113325
0.8069	Intermediate Similarity	NPC279045
0.7866	Intermediate Similarity	NPC477115
0.7862	Intermediate Similarity	NPC42423
0.7762	Intermediate Similarity	NPC476970
0.7762	Intermediate Similarity	NPC470158
0.7762	Intermediate Similarity	NPC475933
0.7708	Intermediate Similarity	NPC476972
0.7708	Intermediate Similarity	NPC476971
0.7625	Intermediate Similarity	NPC235460
0.7606	Intermediate Similarity	NPC473889
0.7569	Intermediate Similarity	NPC472414
0.7552	Intermediate Similarity	NPC473870
0.7552	Intermediate Similarity	NPC473871
0.7535	Intermediate Similarity	NPC311175
0.7535	Intermediate Similarity	NPC37641
0.7534	Intermediate Similarity	NPC71271
0.75	Intermediate Similarity	NPC217801
0.75	Intermediate Similarity	NPC476977
0.7483	Intermediate Similarity	NPC70973
0.7483	Intermediate Similarity	NPC93632
0.745	Intermediate Similarity	NPC476976
0.7448	Intermediate Similarity	NPC471758
0.7448	Intermediate Similarity	NPC284022
0.7417	Intermediate Similarity	NPC208725
0.7415	Intermediate Similarity	NPC58061
0.7397	Intermediate Similarity	NPC45821
0.7381	Intermediate Similarity	NPC120667
0.7381	Intermediate Similarity	NPC278272
0.7376	Intermediate Similarity	NPC84129
0.7368	Intermediate Similarity	NPC475345
0.7353	Intermediate Similarity	NPC203005
0.7353	Intermediate Similarity	NPC476113
0.7329	Intermediate Similarity	NPC473083
0.7329	Intermediate Similarity	NPC114927
0.7326	Intermediate Similarity	NPC475649
0.7324	Intermediate Similarity	NPC473860
0.731	Intermediate Similarity	NPC12016
0.7296	Intermediate Similarity	NPC470274
0.7292	Intermediate Similarity	NPC300827
0.7292	Intermediate Similarity	NPC473439
0.7279	Intermediate Similarity	NPC473110
0.7279	Intermediate Similarity	NPC473082
0.7279	Intermediate Similarity	NPC473111
0.7278	Intermediate Similarity	NPC94602
0.7261	Intermediate Similarity	NPC260194
0.726	Intermediate Similarity	NPC472373
0.7255	Intermediate Similarity	NPC472545
0.7255	Intermediate Similarity	NPC472551
0.7241	Intermediate Similarity	NPC475328
0.7226	Intermediate Similarity	NPC100913
0.7226	Intermediate Similarity	NPC472547
0.7226	Intermediate Similarity	NPC275592
0.7226	Intermediate Similarity	NPC171207
0.7226	Intermediate Similarity	NPC97667
0.7219	Intermediate Similarity	NPC80599
0.7216	Intermediate Similarity	NPC327699
0.7208	Intermediate Similarity	NPC39549
0.7192	Intermediate Similarity	NPC472415
0.7183	Intermediate Similarity	NPC470820
0.7179	Intermediate Similarity	NPC118080
0.7179	Intermediate Similarity	NPC41481
0.7179	Intermediate Similarity	NPC97947
0.7179	Intermediate Similarity	NPC87448
0.7179	Intermediate Similarity	NPC27377
0.7179	Intermediate Similarity	NPC472576
0.7179	Intermediate Similarity	NPC291599
0.7179	Intermediate Similarity	NPC16912
0.7163	Intermediate Similarity	NPC473869
0.7135	Intermediate Similarity	NPC317882
0.7135	Intermediate Similarity	NPC275170
0.7135	Intermediate Similarity	NPC306001
0.7135	Intermediate Similarity	NPC473300
0.7135	Intermediate Similarity	NPC453583
0.7135	Intermediate Similarity	NPC471754
0.7135	Intermediate Similarity	NPC206211
0.7135	Intermediate Similarity	NPC475336
0.7135	Intermediate Similarity	NPC471629
0.7135	Intermediate Similarity	NPC473400
0.7135	Intermediate Similarity	NPC324251
0.7134	Intermediate Similarity	NPC140021
0.7115	Intermediate Similarity	NPC90614
0.7107	Intermediate Similarity	NPC473541
0.7105	Intermediate Similarity	NPC238370
0.7099	Intermediate Similarity	NPC275839
0.7095	Intermediate Similarity	NPC33372
0.7095	Intermediate Similarity	NPC67246
0.7086	Intermediate Similarity	NPC183722
0.7083	Intermediate Similarity	NPC89324
0.707	Intermediate Similarity	NPC224491
0.707	Intermediate Similarity	NPC475128
0.7067	Intermediate Similarity	NPC472413
0.7067	Intermediate Similarity	NPC230331
0.7067	Intermediate Similarity	NPC116057
0.705	Intermediate Similarity	NPC122926
0.705	Intermediate Similarity	NPC113012
0.7044	Intermediate Similarity	NPC188865
0.7044	Intermediate Similarity	NPC471139
0.7044	Intermediate Similarity	NPC95265
0.7044	Intermediate Similarity	NPC476974
0.7044	Intermediate Similarity	NPC475759
0.7044	Intermediate Similarity	NPC470152
0.7044	Intermediate Similarity	NPC472570
0.7044	Intermediate Similarity	NPC70716
0.7044	Intermediate Similarity	NPC475122
0.7044	Intermediate Similarity	NPC25768
0.7044	Intermediate Similarity	NPC163719
0.7044	Intermediate Similarity	NPC95810
0.7044	Intermediate Similarity	NPC472569
0.7044	Intermediate Similarity	NPC125106
0.7044	Intermediate Similarity	NPC57628
0.7044	Intermediate Similarity	NPC241951
0.7044	Intermediate Similarity	NPC472573
0.7044	Intermediate Similarity	NPC11685
0.7039	Intermediate Similarity	NPC472418
0.7032	Intermediate Similarity	NPC477557
0.7027	Intermediate Similarity	NPC470815
0.7025	Intermediate Similarity	NPC34012
0.7025	Intermediate Similarity	NPC472546
0.7024	Intermediate Similarity	NPC253738
0.7013	Intermediate Similarity	NPC474608
0.7007	Intermediate Similarity	NPC473749
0.7	Intermediate Similarity	NPC472572
0.7	Intermediate Similarity	NPC174982
0.7	Intermediate Similarity	NPC96903
0.7	Intermediate Similarity	NPC476973
0.7	Intermediate Similarity	NPC472568
0.7	Intermediate Similarity	NPC470157
0.7	Intermediate Similarity	NPC313414
0.7	Intermediate Similarity	NPC177940
0.7	Intermediate Similarity	NPC70403
0.7	Intermediate Similarity	NPC470159
0.7	Intermediate Similarity	NPC200471
0.7	Intermediate Similarity	NPC472575
0.7	Intermediate Similarity	NPC472571
0.7	Intermediate Similarity	NPC472556
0.7	Intermediate Similarity	NPC469349
0.7	Intermediate Similarity	NPC158663
0.7	Intermediate Similarity	NPC29704
0.7	Intermediate Similarity	NPC471104
0.7	Intermediate Similarity	NPC184817
0.7	Intermediate Similarity	NPC171525
0.7	Intermediate Similarity	NPC473088
0.6994	Remote Similarity	NPC62792
0.6994	Remote Similarity	NPC478123
0.6993	Remote Similarity	NPC476476
0.6993	Remote Similarity	NPC209851
0.6989	Remote Similarity	NPC474607
0.6983	Remote Similarity	NPC471623
0.6981	Remote Similarity	NPC163087
0.6981	Remote Similarity	NPC477894
0.6981	Remote Similarity	NPC91703
0.6978	Remote Similarity	NPC215892
0.6978	Remote Similarity	NPC242662
0.6978	Remote Similarity	NPC191193
0.6978	Remote Similarity	NPC321072
0.6974	Remote Similarity	NPC473443
0.6968	Remote Similarity	NPC195647
0.6968	Remote Similarity	NPC66761
0.6968	Remote Similarity	NPC472577
0.6968	Remote Similarity	NPC17877
0.6968	Remote Similarity	NPC291638
0.6961	Remote Similarity	NPC205
0.6961	Remote Similarity	NPC124690
0.6961	Remote Similarity	NPC172769
0.6961	Remote Similarity	NPC166521
0.6961	Remote Similarity	NPC281470
0.6961	Remote Similarity	NPC184195
0.6957	Remote Similarity	NPC312393
0.6957	Remote Similarity	NPC474935
0.6957	Remote Similarity	NPC478263
0.6954	Remote Similarity	NPC195224
0.6949	Remote Similarity	NPC474650
0.6944	Remote Similarity	NPC40539
0.694	Remote Similarity	NPC471606
0.694	Remote Similarity	NPC208553
0.694	Remote Similarity	NPC181964
0.6939	Remote Similarity	NPC476184
0.6939	Remote Similarity	NPC476281
0.6937	Remote Similarity	NPC80895
0.6937	Remote Similarity	NPC471912
0.6937	Remote Similarity	NPC34943

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC173934 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	106
0.1-0.2	458
0.2-0.3	781
0.3-0.4	2029
0.4-0.5	3394
0.5-0.6	2122
0.6-0.7	268
0.7-0.8	2
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
0.9638	High Similarity	NPD7274	Clinical (unspecified phase)
0.7193	Intermediate Similarity	NPD8470	Clinical (unspecified phase)
0.7045	Intermediate Similarity	NPD8407	Phase 2
0.6983	Remote Similarity	NPD8361	Approved
0.6983	Remote Similarity	NPD8435	Approved
0.6983	Remote Similarity	NPD8360	Approved
0.6975	Remote Similarity	NPD7314	Clinical (unspecified phase)
0.6971	Remote Similarity	NPD8368	Discontinued
0.6966	Remote Similarity	NPD8424	Clinical (unspecified phase)
0.694	Remote Similarity	NPD8485	Approved
0.6828	Remote Similarity	NPD8486	Clinical (unspecified phase)
0.6803	Remote Similarity	NPD5981	Approved
0.6667	Remote Similarity	NPD7975	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD2575	Approved
0.6645	Remote Similarity	NPD4738	Phase 2
0.6622	Remote Similarity	NPD2217	Approved
0.6622	Remote Similarity	NPD2218	Phase 2
0.6609	Remote Similarity	NPD7315	Approved
0.6564	Remote Similarity	NPD7488	Clinical (unspecified phase)
0.6561	Remote Similarity	NPD2570	Approved
0.6561	Remote Similarity	NPD2571	Approved
0.6561	Remote Similarity	NPD4745	Approved
0.6561	Remote Similarity	NPD3088	Approved
0.6561	Remote Similarity	NPD2573	Approved
0.6561	Remote Similarity	NPD3614	Approved
0.6561	Remote Similarity	NPD2574	Discontinued
0.6561	Remote Similarity	NPD3616	Approved
0.6561	Remote Similarity	NPD3615	Approved
0.6561	Remote Similarity	NPD2566	Approved
0.6561	Remote Similarity	NPD2572	Clinical (unspecified phase)
0.6561	Remote Similarity	NPD3089	Approved
0.6561	Remote Similarity	NPD3087	Approved
0.6561	Remote Similarity	NPD3090	Approved
0.6561	Remote Similarity	NPD4746	Phase 3
0.6545	Remote Similarity	NPD7497	Discontinued
0.6528	Remote Similarity	NPD3644	Approved
0.6528	Remote Similarity	NPD3643	Approved
0.6528	Remote Similarity	NPD3642	Approved
0.6519	Remote Similarity	NPD2238	Phase 2
0.6508	Remote Similarity	NPD7565	Approved
0.6506	Remote Similarity	NPD8389	Clinical (unspecified phase)
0.6481	Remote Similarity	NPD2174	Clinical (unspecified phase)
0.6478	Remote Similarity	NPD4685	Phase 3
0.6478	Remote Similarity	NPD4684	Phase 3
0.6478	Remote Similarity	NPD4686	Approved
0.6474	Remote Similarity	NPD2613	Approved
0.6471	Remote Similarity	NPD6072	Discontinued
0.6447	Remote Similarity	NPD5618	Discontinued
0.6424	Remote Similarity	NPD5126	Approved
0.6424	Remote Similarity	NPD5125	Phase 3
0.642	Remote Similarity	NPD2161	Phase 2
0.6415	Remote Similarity	NPD7966	Clinical (unspecified phase)
0.64	Remote Similarity	NPD8404	Phase 2
0.64	Remote Similarity	NPD4479	Discontinued
0.64	Remote Similarity	NPD6746	Phase 2
0.6389	Remote Similarity	NPD5557	Phase 1
0.6386	Remote Similarity	NPD6666	Approved
0.6386	Remote Similarity	NPD6667	Approved
0.638	Remote Similarity	NPD1375	Discontinued
0.6369	Remote Similarity	NPD3909	Discontinued
0.6369	Remote Similarity	NPD7526	Approved
0.6369	Remote Similarity	NPD7527	Clinical (unspecified phase)
0.6369	Remote Similarity	NPD52	Approved
0.6364	Remote Similarity	NPD5704	Approved
0.6364	Remote Similarity	NPD5705	Approved
0.6364	Remote Similarity	NPD5706	Approved
0.6364	Remote Similarity	NPD8462	Phase 1
0.6353	Remote Similarity	NPD4005	Discontinued
0.6353	Remote Similarity	NPD6591	Clinical (unspecified phase)
0.6348	Remote Similarity	NPD4481	Phase 3
0.6345	Remote Similarity	NPD5237	Approved
0.6345	Remote Similarity	NPD5236	Approved
0.6345	Remote Similarity	NPD5239	Approved
0.6345	Remote Similarity	NPD5235	Approved
0.6345	Remote Similarity	NPD5240	Approved
0.634	Remote Similarity	NPD3529	Phase 2
0.6339	Remote Similarity	NPD7311	Approved
0.6339	Remote Similarity	NPD7313	Approved
0.6339	Remote Similarity	NPD7312	Approved
0.6339	Remote Similarity	NPD7310	Approved
0.6333	Remote Similarity	NPD7522	Discontinued
0.6323	Remote Similarity	NPD6325	Discontinued
0.6319	Remote Similarity	NPD6406	Approved
0.6312	Remote Similarity	NPD8265	Approved
0.6309	Remote Similarity	NPD4198	Discontinued
0.6307	Remote Similarity	NPD4666	Phase 3
0.6304	Remote Similarity	NPD7309	Approved
0.6301	Remote Similarity	NPD5773	Approved
0.6301	Remote Similarity	NPD5772	Approved
0.6299	Remote Similarity	NPD5108	Clinical (unspecified phase)
0.6299	Remote Similarity	NPD6637	Approved
0.6296	Remote Similarity	NPD6852	Discontinued
0.6296	Remote Similarity	NPD2567	Approved
0.6296	Remote Similarity	NPD2569	Approved
0.6291	Remote Similarity	NPD7741	Discontinued
0.629	Remote Similarity	NPD6841	Approved
0.629	Remote Similarity	NPD6843	Phase 3
0.629	Remote Similarity	NPD6842	Approved
0.629	Remote Similarity	NPD7906	Approved
0.6289	Remote Similarity	NPD4621	Approved
0.6289	Remote Similarity	NPD4619	Approved
0.6286	Remote Similarity	NPD6648	Approved
0.6284	Remote Similarity	NPD7549	Discontinued
0.6279	Remote Similarity	NPD5090	Approved
0.6279	Remote Similarity	NPD5089	Approved
0.6279	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.6275	Remote Similarity	NPD2956	Clinical (unspecified phase)
0.6265	Remote Similarity	NPD3400	Discontinued
0.6265	Remote Similarity	NPD6331	Phase 2
0.6264	Remote Similarity	NPD7007	Discovery
0.6257	Remote Similarity	NPD3455	Phase 2
0.625	Remote Similarity	NPD4578	Approved
0.625	Remote Similarity	NPD5709	Phase 3
0.625	Remote Similarity	NPD4577	Approved
0.6242	Remote Similarity	NPD7596	Clinical (unspecified phase)
0.6241	Remote Similarity	NPD5344	Discontinued
0.6241	Remote Similarity	NPD4760	Clinical (unspecified phase)
0.6237	Remote Similarity	NPD4663	Approved
0.6236	Remote Similarity	NPD3051	Approved
0.6235	Remote Similarity	NPD3528	Clinical (unspecified phase)
0.6234	Remote Similarity	NPD4217	Approved
0.6234	Remote Similarity	NPD4215	Approved
0.6234	Remote Similarity	NPD2610	Approved
0.6234	Remote Similarity	NPD4480	Approved
0.6234	Remote Similarity	NPD3131	Approved
0.6234	Remote Similarity	NPD4806	Approved
0.6234	Remote Similarity	NPD3132	Approved
0.6234	Remote Similarity	NPD4218	Approved
0.6234	Remote Similarity	NPD2612	Approved
0.6234	Remote Similarity	NPD2609	Approved
0.6234	Remote Similarity	NPD4216	Approved
0.6234	Remote Similarity	NPD2611	Approved
0.6234	Remote Similarity	NPD2608	Approved
0.6234	Remote Similarity	NPD4807	Approved
0.6213	Remote Similarity	NPD7446	Clinical (unspecified phase)
0.6211	Remote Similarity	NPD6311	Approved
0.6211	Remote Similarity	NPD6309	Approved
0.6211	Remote Similarity	NPD6310	Approved
0.6209	Remote Similarity	NPD5306	Approved
0.6209	Remote Similarity	NPD5305	Approved
0.6207	Remote Similarity	NPD7972	Discontinued
0.6203	Remote Similarity	NPD5204	Approved
0.6201	Remote Similarity	NPD2969	Approved
0.6201	Remote Similarity	NPD2970	Approved
0.619	Remote Similarity	NPD2201	Approved
0.619	Remote Similarity	NPD7236	Approved
0.6185	Remote Similarity	NPD6386	Approved
0.6185	Remote Similarity	NPD6385	Approved
0.6183	Remote Similarity	NPD5036	Approved
0.6182	Remote Similarity	NPD5762	Approved
0.6182	Remote Similarity	NPD5763	Approved
0.6182	Remote Similarity	NPD7702	Clinical (unspecified phase)
0.6181	Remote Similarity	NPD7875	Clinical (unspecified phase)
0.6181	Remote Similarity	NPD7874	Approved
0.6178	Remote Similarity	NPD2628	Approved
0.6178	Remote Similarity	NPD2625	Approved
0.6178	Remote Similarity	NPD2160	Approved
0.6178	Remote Similarity	NPD2626	Approved
0.6178	Remote Similarity	NPD2159	Approved
0.6178	Remote Similarity	NPD2627	Approved
0.6175	Remote Similarity	NPD7959	Clinical (unspecified phase)
0.6167	Remote Similarity	NPD7997	Clinical (unspecified phase)
0.6166	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.6164	Remote Similarity	NPD5202	Clinical (unspecified phase)
0.6164	Remote Similarity	NPD5203	Approved
0.6164	Remote Similarity	NPD4617	Approved
0.6164	Remote Similarity	NPD4620	Approved
0.6164	Remote Similarity	NPD5201	Approved
0.6162	Remote Similarity	NPD5035	Approved
0.6154	Remote Similarity	NPD4357	Discontinued
0.6154	Remote Similarity	NPD6647	Phase 2
0.6154	Remote Similarity	NPD6823	Phase 2
0.615	Remote Similarity	NPD5037	Approved
0.615	Remote Similarity	NPD5038	Approved
0.615	Remote Similarity	NPD8150	Discontinued
0.615	Remote Similarity	NPD7801	Approved
0.6149	Remote Similarity	NPD4433	Discontinued
0.6144	Remote Similarity	NPD4209	Clinical (unspecified phase)
0.6142	Remote Similarity	NPD7999	Approved
0.6141	Remote Similarity	NPD8014	Clinical (unspecified phase)
0.6138	Remote Similarity	NPD6685	Approved
0.6127	Remote Similarity	NPD8417	Discontinued
0.6121	Remote Similarity	NPD6897	Clinical (unspecified phase)
0.6118	Remote Similarity	NPD681	Clinical (unspecified phase)
0.6115	Remote Similarity	NPD5667	Approved
0.6111	Remote Similarity	NPD5121	Approved
0.6111	Remote Similarity	NPD5119	Approved
0.6111	Remote Similarity	NPD5120	Approved
0.6108	Remote Similarity	NPD5032	Approved
0.6108	Remote Similarity	NPD7179	Phase 2
0.6105	Remote Similarity	NPD7239	Suspended
0.6102	Remote Similarity	NPD4055	Discovery
0.6101	Remote Similarity	NPD3661	Approved
0.6101	Remote Similarity	NPD3662	Phase 3
0.6101	Remote Similarity	NPD3664	Approved
0.6101	Remote Similarity	NPD3663	Approved
0.6101	Remote Similarity	NPD1712	Approved
0.6092	Remote Similarity	NPD7749	Clinical (unspecified phase)
0.6091	Remote Similarity	NPD8320	Phase 1
0.6091	Remote Similarity	NPD8319	Approved

Structure

NPC173934 OpenBabel07101718332D 34 38 0 0 1 0 0 0 0 0999 V2000 -4.8900 2.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2382 -3.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -3.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 3.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7305 3.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2557 0.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6801 3.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2557 -0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 0.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 2.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5131 0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4712 2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9335 0.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 -1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5237 0.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7407 -0.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4623 1.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6576 -1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9185 1.9598 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4310 -2.3059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5237 -0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7692 -0.8196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7916 -0.9481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4473 0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1219 -1.3549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0782 -1.7707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2911 0.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4091 -2.5138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7911 -0.6117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6871 0.0464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4188 0.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6978 1.1678 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 -2.3873 -2.7217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 20 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 12 1 0 0 0 0 8 14 1 0 0 0 0 9 15 2 0 0 0 0 10 17 2 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 12 19 1 0 0 0 0 13 19 1 0 0 0 0 14 21 2 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 17 24 1 0 0 0 0 18 21 1 0 0 0 0 19 1 1 6 0 0 0 20 25 1 0 0 0 0 20 28 1 6 0 0 0 22 26 1 0 0 0 0 22 29 1 6 0 0 0 23 18 1 1 0 0 0 23 25 1 0 0 0 0 23 30 1 0 0 0 0 24 31 2 0 0 0 0 24 33 1 0 0 0 0 25 29 1 6 0 0 0 26 28 1 1 0 0 0 26 34 1 0 0 0 0 27 30 2 0 0 0 0 27 32 1 0 0 0 0 28 3 1 6 0 0 0 28 34 1 0 0 0 0 29 27 1 6 0 0 0 29 33 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	70681278
ChEMBL	CHEMBL2018718
ZINC

Physicochemical Properties

Molecular Weight:	463.27
ALogP:	-0.1265
MLogP:	4.1
XLogP:	8.398
# Rotatable Bonds:	6
Polar Surface Area:	71.42
# H-Bond Aceptor:	5
# H-Bond Donor:	1
# Rings:	5
# Heavy Atoms:	34

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