NPASS Natural Product

Natural Product: NPC24869

Natural Product ID:	NPC24869
Common Name:	Albatrelin E
IUPAC Name:
Synonyms:	Albatrelin E
Molecular Formula:	C44H60O5
Standard InCHIKey:	AAJBNCIQOCECIN-OAEQVLRSSA-N
Standard InCHI:	InChI=1S/C44H60O5/c1-28(2)15-11-17-30(5)19-13-21-32(7)23-25-36-34(9)40(39(46)27-38(36)45)41-35(10)42(47)44(49)37(43(41)48)26-24-33(8)22-14-20-31(6)18-12-16-29(3)4/h15-16,19-20,23-24,27,45-46,49H,11-14,17-18,21-22,25-26H2,1-10H3/b30-19+,31-20+,32-23+,33-24+
Canonical SMILES:	C/C(=CCC1=C(O)C(=O)C(=C(C1=O)c1c(O)cc(c(c1C)C/C=C(/CC/C=C(/CCC=C(C)C)C)C)O)C)/CC/C=C(/CCC=C(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
NPO10941	Albatrellus ovinus	Species	Albatrellaceae	Eukaryota				PMID[23305465]

Biological Activity

Activity Type	# Activity
IC50	4

Activity Type	# Activity
Cell Line	3
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT116	Cell Line	HL-60	Homo sapiens	IC50	>	40000	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		IC50	>	40000	nM	23822611
NPT81	Cell Line	A549	Homo sapiens	IC50	>	40000	nM	23822611
NPT83	Cell Line	MCF7	Homo sapiens	IC50	>	40000	nM	21784631

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 NPC24869 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	226
0.1-0.2	1121
0.2-0.3	1991
0.3-0.4	5187
0.4-0.5	8310
0.5-0.6	3662
0.6-0.7	6553
0.7-0.8	3621
0.8-0.85	203
0.85-0.9	15
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8828	High Similarity	NPC209959
0.8788	High Similarity	NPC282780
0.8788	High Similarity	NPC166480
0.875	High Similarity	NPC15837
0.875	High Similarity	NPC473691
0.8672	High Similarity	NPC477454
0.8657	High Similarity	NPC191976
0.8626	High Similarity	NPC259942
0.8615	High Similarity	NPC179898
0.8582	High Similarity	NPC290803
0.8571	High Similarity	NPC180261
0.8571	High Similarity	NPC37299
0.855	High Similarity	NPC92624
0.8529	High Similarity	NPC87723
0.8516	High Similarity	NPC273683
0.8485	Intermediate Similarity	NPC17840
0.8485	Intermediate Similarity	NPC247477
0.8467	Intermediate Similarity	NPC242994
0.8467	Intermediate Similarity	NPC138099
0.8456	Intermediate Similarity	NPC53001
0.8456	Intermediate Similarity	NPC471905
0.8438	Intermediate Similarity	NPC91105
0.8433	Intermediate Similarity	NPC267205
0.8417	Intermediate Similarity	NPC474961
0.8417	Intermediate Similarity	NPC291078
0.8406	Intermediate Similarity	NPC181560
0.8406	Intermediate Similarity	NPC169452
0.8397	Intermediate Similarity	NPC116513
0.8385	Intermediate Similarity	NPC123506
0.8385	Intermediate Similarity	NPC475733
0.8382	Intermediate Similarity	NPC118919
0.8382	Intermediate Similarity	NPC254847
0.8374	Intermediate Similarity	NPC162113
0.8374	Intermediate Similarity	NPC62546
0.8374	Intermediate Similarity	NPC263753
0.8372	Intermediate Similarity	NPC65761
0.8372	Intermediate Similarity	NPC472029
0.8359	Intermediate Similarity	NPC215392
0.8359	Intermediate Similarity	NPC154696
0.8358	Intermediate Similarity	NPC175738
0.8358	Intermediate Similarity	NPC478190
0.8345	Intermediate Similarity	NPC187843
0.8345	Intermediate Similarity	NPC110810
0.8321	Intermediate Similarity	NPC231774
0.8321	Intermediate Similarity	NPC53206
0.8321	Intermediate Similarity	NPC471452
0.8321	Intermediate Similarity	NPC194579
0.8321	Intermediate Similarity	NPC267846
0.8321	Intermediate Similarity	NPC53414
0.8309	Intermediate Similarity	NPC249272
0.8308	Intermediate Similarity	NPC474803
0.8308	Intermediate Similarity	NPC474766
0.8308	Intermediate Similarity	NPC199273
0.8306	Intermediate Similarity	NPC107240
0.8298	Intermediate Similarity	NPC471906
0.8296	Intermediate Similarity	NPC48036
0.8295	Intermediate Similarity	NPC282577
0.8286	Intermediate Similarity	NPC135524
0.8286	Intermediate Similarity	NPC193555
0.8281	Intermediate Similarity	NPC149246
0.8271	Intermediate Similarity	NPC278928
0.8271	Intermediate Similarity	NPC171460
0.8271	Intermediate Similarity	NPC474998
0.8258	Intermediate Similarity	NPC100067
0.8258	Intermediate Similarity	NPC266689
0.8258	Intermediate Similarity	NPC316625
0.8258	Intermediate Similarity	NPC103356
0.8258	Intermediate Similarity	NPC190043
0.8258	Intermediate Similarity	NPC23126
0.8258	Intermediate Similarity	NPC72158
0.8258	Intermediate Similarity	NPC169250
0.8258	Intermediate Similarity	NPC30501
0.8258	Intermediate Similarity	NPC98254
0.8258	Intermediate Similarity	NPC105157
0.8258	Intermediate Similarity	NPC329205
0.8258	Intermediate Similarity	NPC162612
0.8244	Intermediate Similarity	NPC201728
0.8244	Intermediate Similarity	NPC262671
0.8244	Intermediate Similarity	NPC10926
0.8235	Intermediate Similarity	NPC270899
0.8235	Intermediate Similarity	NPC474394
0.8235	Intermediate Similarity	NPC475088
0.8235	Intermediate Similarity	NPC474519
0.8235	Intermediate Similarity	NPC12070
0.8235	Intermediate Similarity	NPC44437
0.8231	Intermediate Similarity	NPC135062
0.8217	Intermediate Similarity	NPC196976
0.8214	Intermediate Similarity	NPC246638
0.8214	Intermediate Similarity	NPC305845
0.8214	Intermediate Similarity	NPC204045
0.8209	Intermediate Similarity	NPC147757
0.8209	Intermediate Similarity	NPC62219
0.8209	Intermediate Similarity	NPC253488
0.8201	Intermediate Similarity	NPC472903
0.8201	Intermediate Similarity	NPC162939
0.8201	Intermediate Similarity	NPC143438
0.8195	Intermediate Similarity	NPC473017
0.8195	Intermediate Similarity	NPC221777
0.8195	Intermediate Similarity	NPC41263
0.8195	Intermediate Similarity	NPC21305
0.8188	Intermediate Similarity	NPC290030
0.8182	Intermediate Similarity	NPC328983
0.8182	Intermediate Similarity	NPC254492
0.8182	Intermediate Similarity	NPC271944
0.8182	Intermediate Similarity	NPC85393
0.8182	Intermediate Similarity	NPC62952
0.8182	Intermediate Similarity	NPC8745
0.8182	Intermediate Similarity	NPC110882
0.8175	Intermediate Similarity	NPC283590
0.8175	Intermediate Similarity	NPC61153
0.8175	Intermediate Similarity	NPC283088
0.8175	Intermediate Similarity	NPC130899
0.8175	Intermediate Similarity	NPC70859
0.8175	Intermediate Similarity	NPC161632
0.8169	Intermediate Similarity	NPC10764
0.8162	Intermediate Similarity	NPC114183
0.8154	Intermediate Similarity	NPC309765
0.8154	Intermediate Similarity	NPC164947
0.8145	Intermediate Similarity	NPC43525
0.814	Intermediate Similarity	NPC32322
0.814	Intermediate Similarity	NPC146642
0.814	Intermediate Similarity	NPC190971
0.814	Intermediate Similarity	NPC248363
0.814	Intermediate Similarity	NPC259703
0.8138	Intermediate Similarity	NPC80370
0.8134	Intermediate Similarity	NPC99731
0.813	Intermediate Similarity	NPC224870
0.8129	Intermediate Similarity	NPC230811
0.8129	Intermediate Similarity	NPC473622
0.812	Intermediate Similarity	NPC72667
0.812	Intermediate Similarity	NPC156539
0.8116	Intermediate Similarity	NPC264112
0.8116	Intermediate Similarity	NPC65005
0.8116	Intermediate Similarity	NPC194764
0.8116	Intermediate Similarity	NPC86524
0.8112	Intermediate Similarity	NPC28632
0.8112	Intermediate Similarity	NPC34482
0.811	Intermediate Similarity	NPC121259
0.8099	Intermediate Similarity	NPC293545
0.8099	Intermediate Similarity	NPC451542
0.8099	Intermediate Similarity	NPC313047
0.8099	Intermediate Similarity	NPC474203
0.8099	Intermediate Similarity	NPC295712
0.8099	Intermediate Similarity	NPC174905
0.8088	Intermediate Similarity	NPC309430
0.8088	Intermediate Similarity	NPC476389
0.8085	Intermediate Similarity	NPC472904
0.8085	Intermediate Similarity	NPC472603
0.8077	Intermediate Similarity	NPC303737
0.8077	Intermediate Similarity	NPC237667
0.8077	Intermediate Similarity	NPC31936
0.8077	Intermediate Similarity	NPC226275
0.8077	Intermediate Similarity	NPC472892
0.8074	Intermediate Similarity	NPC244441
0.8071	Intermediate Similarity	NPC190457
0.8065	Intermediate Similarity	NPC225679
0.8065	Intermediate Similarity	NPC165770
0.8065	Intermediate Similarity	NPC4493
0.8065	Intermediate Similarity	NPC476632
0.8062	Intermediate Similarity	NPC159525
0.8062	Intermediate Similarity	NPC294037
0.806	Intermediate Similarity	NPC96024
0.8058	Intermediate Similarity	NPC71256
0.8058	Intermediate Similarity	NPC65837
0.8058	Intermediate Similarity	NPC178467
0.8058	Intermediate Similarity	NPC474771
0.8058	Intermediate Similarity	NPC474849
0.8058	Intermediate Similarity	NPC149372
0.8058	Intermediate Similarity	NPC309452
0.8056	Intermediate Similarity	NPC470570
0.8047	Intermediate Similarity	NPC40649
0.8047	Intermediate Similarity	NPC209486
0.8045	Intermediate Similarity	NPC3224
0.8045	Intermediate Similarity	NPC306765
0.8045	Intermediate Similarity	NPC1991
0.8043	Intermediate Similarity	NPC278375
0.8043	Intermediate Similarity	NPC129752
0.8042	Intermediate Similarity	NPC21599
0.8042	Intermediate Similarity	NPC193703
0.8042	Intermediate Similarity	NPC244691
0.8042	Intermediate Similarity	NPC48762
0.8042	Intermediate Similarity	NPC227841
0.8031	Intermediate Similarity	NPC115808
0.8031	Intermediate Similarity	NPC477453
0.803	Intermediate Similarity	NPC310540
0.803	Intermediate Similarity	NPC13238
0.8029	Intermediate Similarity	NPC263817
0.8029	Intermediate Similarity	NPC4170
0.8029	Intermediate Similarity	NPC139074
0.8029	Intermediate Similarity	NPC213485
0.8029	Intermediate Similarity	NPC40524
0.8028	Intermediate Similarity	NPC49108
0.8027	Intermediate Similarity	NPC230848
0.8015	Intermediate Similarity	NPC176208
0.8015	Intermediate Similarity	NPC307174
0.8015	Intermediate Similarity	NPC475042
0.8015	Intermediate Similarity	NPC244699
0.8014	Intermediate Similarity	NPC156872
0.8014	Intermediate Similarity	NPC472600
0.8014	Intermediate Similarity	NPC472601

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC24869 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	265
0.1-0.2	944
0.2-0.3	1346
0.3-0.4	2595
0.4-0.5	2292
0.5-0.6	1168
0.6-0.7	474
0.7-0.8	75
0.8-0.85	2
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8382	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.8042	Intermediate Similarity	NPD7390	Discontinued
0.7986	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7903	Intermediate Similarity	NPD4750	Phase 3
0.7857	Intermediate Similarity	NPD3299	Clinical (unspecified phase)
0.7836	Intermediate Similarity	NPD1470	Approved
0.7826	Intermediate Similarity	NPD943	Approved
0.7803	Intermediate Similarity	NPD1201	Approved
0.7786	Intermediate Similarity	NPD2932	Approved
0.7752	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7676	Intermediate Similarity	NPD5408	Approved
0.7676	Intermediate Similarity	NPD5406	Approved
0.7676	Intermediate Similarity	NPD5404	Approved
0.7676	Intermediate Similarity	NPD5405	Approved
0.7652	Intermediate Similarity	NPD3019	Approved
0.7623	Intermediate Similarity	NPD846	Approved
0.7623	Intermediate Similarity	NPD940	Approved
0.7619	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7586	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7586	Intermediate Similarity	NPD3750	Approved
0.7576	Intermediate Similarity	NPD4196	Clinical (unspecified phase)
0.7569	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7566	Intermediate Similarity	NPD7819	Suspended
0.75	Intermediate Similarity	NPD2532	Approved
0.75	Intermediate Similarity	NPD2534	Approved
0.75	Intermediate Similarity	NPD2533	Approved
0.7431	Intermediate Similarity	NPD6099	Approved
0.7431	Intermediate Similarity	NPD6100	Approved
0.7397	Intermediate Similarity	NPD2800	Approved
0.7353	Intermediate Similarity	NPD9269	Phase 2
0.7343	Intermediate Similarity	NPD6651	Approved
0.7324	Intermediate Similarity	NPD1240	Approved
0.7319	Intermediate Similarity	NPD1164	Approved
0.7313	Intermediate Similarity	NPD9268	Approved
0.7312	Intermediate Similarity	NPD7473	Discontinued
0.731	Intermediate Similarity	NPD2935	Discontinued
0.729	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7258	Intermediate Similarity	NPD1242	Phase 1
0.7248	Intermediate Similarity	NPD3300	Phase 2
0.7241	Intermediate Similarity	NPD1510	Phase 2
0.7241	Intermediate Similarity	NPD3748	Approved
0.7233	Intermediate Similarity	NPD6232	Discontinued
0.7226	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7222	Intermediate Similarity	NPD1607	Approved
0.7206	Intermediate Similarity	NPD3023	Approved
0.7206	Intermediate Similarity	NPD3026	Approved
0.7197	Intermediate Similarity	NPD7075	Discontinued
0.7185	Intermediate Similarity	NPD3025	Approved
0.7185	Intermediate Similarity	NPD3024	Approved
0.7183	Intermediate Similarity	NPD3764	Approved
0.7176	Intermediate Similarity	NPD7635	Approved
0.717	Intermediate Similarity	NPD6959	Discontinued
0.7153	Intermediate Similarity	NPD230	Phase 1
0.7152	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7134	Intermediate Similarity	NPD7768	Phase 2
0.7134	Intermediate Similarity	NPD3882	Suspended
0.7132	Intermediate Similarity	NPD4626	Approved
0.7115	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7114	Intermediate Similarity	NPD8166	Discontinued
0.7113	Intermediate Similarity	NPD4625	Phase 3
0.7105	Intermediate Similarity	NPD1512	Approved
0.7073	Intermediate Similarity	NPD1809	Phase 2
0.7063	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD1651	Approved
0.705	Intermediate Similarity	NPD4749	Approved
0.704	Intermediate Similarity	NPD3020	Approved
0.7032	Intermediate Similarity	NPD4380	Phase 2
0.7027	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7014	Intermediate Similarity	NPD6663	Approved
0.7007	Intermediate Similarity	NPD2799	Discontinued
0.7006	Intermediate Similarity	NPD2801	Approved
0.7	Intermediate Similarity	NPD1283	Approved
0.7	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD6831	Clinical (unspecified phase)
0.698	Remote Similarity	NPD1549	Phase 2
0.6974	Remote Similarity	NPD1511	Approved
0.6972	Remote Similarity	NPD5736	Approved
0.6966	Remote Similarity	NPD4060	Phase 1
0.6947	Remote Similarity	NPD3022	Approved
0.6947	Remote Similarity	NPD3021	Approved
0.6944	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6943	Remote Similarity	NPD37	Approved
0.6943	Remote Similarity	NPD1934	Approved
0.6935	Remote Similarity	NPD2859	Approved
0.6935	Remote Similarity	NPD2860	Approved
0.6935	Remote Similarity	NPD844	Approved
0.6929	Remote Similarity	NPD3600	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD2342	Discontinued
0.6923	Remote Similarity	NPD9265	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD5710	Approved
0.6914	Remote Similarity	NPD5711	Approved
0.6913	Remote Similarity	NPD2346	Discontinued
0.6911	Remote Similarity	NPD845	Approved
0.6909	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.6906	Remote Similarity	NPD422	Phase 1
0.689	Remote Similarity	NPD5033	Approved
0.688	Remote Similarity	NPD288	Approved
0.6879	Remote Similarity	NPD7411	Suspended
0.6875	Remote Similarity	NPD3749	Approved
0.687	Remote Similarity	NPD74	Approved
0.687	Remote Similarity	NPD9266	Approved
0.6867	Remote Similarity	NPD4956	Approved
0.6863	Remote Similarity	NPD6799	Approved
0.6859	Remote Similarity	NPD3226	Approved
0.6855	Remote Similarity	NPD2934	Approved
0.6855	Remote Similarity	NPD2933	Approved
0.6855	Remote Similarity	NPD1432	Clinical (unspecified phase)
0.685	Remote Similarity	NPD289	Clinical (unspecified phase)
0.6846	Remote Similarity	NPD2796	Approved
0.6842	Remote Similarity	NPD6124	Clinical (unspecified phase)
0.6838	Remote Similarity	NPD9493	Approved
0.6835	Remote Similarity	NPD6801	Discontinued
0.6832	Remote Similarity	NPD6234	Discontinued
0.6831	Remote Similarity	NPD2797	Approved
0.6829	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6829	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6829	Remote Similarity	NPD6166	Phase 2
0.6829	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6828	Remote Similarity	NPD3268	Approved
0.6821	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6815	Remote Similarity	NPD6599	Discontinued
0.6813	Remote Similarity	NPD4966	Approved
0.6813	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6813	Remote Similarity	NPD4967	Phase 2
0.6813	Remote Similarity	NPD4965	Approved
0.6812	Remote Similarity	NPD5691	Approved
0.681	Remote Similarity	NPD7229	Phase 3
0.6809	Remote Similarity	NPD1755	Approved
0.6807	Remote Similarity	NPD5844	Phase 1
0.6806	Remote Similarity	NPD4908	Phase 1
0.6794	Remote Similarity	NPD9264	Approved
0.6794	Remote Similarity	NPD9267	Approved
0.6794	Remote Similarity	NPD9263	Approved
0.6792	Remote Similarity	NPD1465	Phase 2
0.6786	Remote Similarity	NPD1281	Approved
0.6786	Remote Similarity	NPD5039	Approved
0.6784	Remote Similarity	NPD8150	Discontinued
0.6776	Remote Similarity	NPD7003	Approved
0.675	Remote Similarity	NPD3817	Phase 2
0.6741	Remote Similarity	NPD7159	Clinical (unspecified phase)
0.6739	Remote Similarity	NPD3091	Approved
0.6739	Remote Similarity	NPD9545	Approved
0.6736	Remote Similarity	NPD4208	Discontinued
0.6732	Remote Similarity	NPD6190	Approved
0.6726	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6724	Remote Similarity	NPD7879	Clinical (unspecified phase)
0.6713	Remote Similarity	NPD3094	Phase 2
0.6711	Remote Similarity	NPD1243	Approved
0.6706	Remote Similarity	NPD5035	Approved
0.6691	Remote Similarity	NPD5951	Approved
0.6689	Remote Similarity	NPD6355	Discontinued
0.6689	Remote Similarity	NPD2344	Approved
0.6687	Remote Similarity	NPD5494	Approved
0.6667	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD8032	Phase 2
0.6667	Remote Similarity	NPD3400	Discontinued
0.6667	Remote Similarity	NPD1610	Phase 2
0.6667	Remote Similarity	NPD3092	Approved
0.6667	Remote Similarity	NPD2798	Approved
0.6647	Remote Similarity	NPD7228	Approved
0.6647	Remote Similarity	NPD5032	Approved
0.6647	Remote Similarity	NPD7808	Phase 3
0.6646	Remote Similarity	NPD5402	Approved
0.6646	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6646	Remote Similarity	NPD4288	Approved
0.6644	Remote Similarity	NPD3027	Phase 3
0.6643	Remote Similarity	NPD1876	Approved
0.6643	Remote Similarity	NPD6696	Suspended
0.6643	Remote Similarity	NPD4059	Approved
0.6628	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6623	Remote Similarity	NPD7910	Clinical (unspecified phase)
0.6623	Remote Similarity	NPD4476	Approved
0.6623	Remote Similarity	NPD4477	Approved
0.6623	Remote Similarity	NPD1551	Phase 2
0.6622	Remote Similarity	NPD2979	Phase 3
0.6621	Remote Similarity	NPD1530	Clinical (unspecified phase)
0.662	Remote Similarity	NPD1608	Approved
0.6619	Remote Similarity	NPD1759	Phase 1
0.6618	Remote Similarity	NPD1241	Discontinued
0.6607	Remote Similarity	NPD6020	Phase 2
0.6599	Remote Similarity	NPD1296	Phase 2
0.6599	Remote Similarity	NPD2313	Discontinued
0.6597	Remote Similarity	NPD4339	Clinical (unspecified phase)
0.6594	Remote Similarity	NPD7325	Clinical (unspecified phase)
0.6588	Remote Similarity	NPD7251	Discontinued
0.6588	Remote Similarity	NPD3658	Clinical (unspecified phase)
0.6588	Remote Similarity	NPD6559	Discontinued
0.6577	Remote Similarity	NPD5124	Phase 1
0.6577	Remote Similarity	NPD5123	Clinical (unspecified phase)
0.6575	Remote Similarity	NPD1529	Clinical (unspecified phase)
0.6573	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6571	Remote Similarity	NPD4093	Discontinued
0.6569	Remote Similarity	NPD9281	Approved
0.6568	Remote Similarity	NPD7074	Phase 3
0.6566	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.6566	Remote Similarity	NPD3926	Phase 2

Structure

NPC24869 OpenBabel07101718322D 49 50 0 0 0 0 0 0 0 0999 V2000 10.3923 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1244 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -3.5000 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 0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.0000 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 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -3.0000 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 0.8660 1.5000 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 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 2.5000 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 1.7321 1.0000 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 1.7321 -0.0000 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 5.1962 3.0000 0.0000 O 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 -0.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.5000 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 1 28 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 4 29 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 21 1 0 0 0 0 14 20 1 0 0 0 0 14 22 1 0 0 0 0 15 28 2 0 0 0 0 16 29 2 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 30 2 0 0 0 0 20 31 2 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 23 25 1 0 0 0 0 23 32 2 0 0 0 0 24 26 1 0 0 0 0 24 33 2 0 0 0 0 25 36 1 0 0 0 0 26 37 1 0 0 0 0 27 38 2 0 0 0 0 27 39 1 0 0 0 0 34 36 2 0 0 0 0 34 40 1 0 0 0 0 35 41 2 0 0 0 0 35 42 1 0 0 0 0 36 38 1 0 0 0 0 37 43 1 0 0 0 0 37 44 2 0 0 0 0 38 45 1 0 0 0 0 39 40 2 0 0 0 0 39 46 1 0 0 0 0 40 41 1 0 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 42 47 2 0 0 0 0 43 48 2 0 0 0 0 44 49 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL2332225
ZINC

Physicochemical Properties

Molecular Weight:	668.44
ALogP:	8.3051
MLogP:	5.75
XLogP:	11.373
# Rotatable Bonds:	30
Polar Surface Area:	94.83
# H-Bond Aceptor:	3
# H-Bond Donor:	3
# Rings:	2
# Heavy Atoms:	49

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