NPASS Natural Product

Natural Product: NPC155512

Natural Product ID:	NPC155512
Common Name:	Cycloleucine
IUPAC Name:	1-azaniumylcyclopentane-1-carboxylate
Synonyms:	1-Amino-Cyclopentanecarboxylic Acid; 1-Aminocyclopentanecarboxylic Acid; Cycloleucine; Cycloleucine1-Amino-Cyclopentanecarboxylic Acid
Molecular Formula:	C6H11NO2
Standard InCHIKey:	NILQLFBWTXNUOE-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)
Canonical SMILES:	OC(=O)C1(N)CCCC1
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
NPO20167	Streptomyces hydrogenans	Species	Streptomycetaceae	Bacteria				StreptomeDB*

Biological Activity

Activity Type	# Activity
GI50	58
IC50	7
Ki	2
Others	4

Activity Type	# Activity
Cell Line	60
Individual Protein	3
Organism	5
Others	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT4721	Individual Protein	S-adenosylmethionine synthetase alpha and beta forms	Rattus norvegicus	Ki	=	516000	nM	9873403
NPT2	Others	Unspecified		Ki	=	1995262.31	nM	19642674
NPT368	Cell Line	SN12C	Homo sapiens	GI50		90991.33	nM	PubChem BioAssay data set
NPT370	Cell Line	NCI-H23	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT371	Cell Line	UO-31	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT116	Cell Line	HL-60	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT372	Cell Line	HOP-92	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT374	Cell Line	SF-539	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT373	Cell Line	SK-MEL-5	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT375	Cell Line	Malme-3M	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT376	Cell Line	A498	Homo sapiens	GI50		1345.86	nM	PubChem BioAssay data set
NPT111	Cell Line	K562	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT377	Cell Line	OVCAR-3	Homo sapiens	GI50		62517.27	nM	PubChem BioAssay data set
NPT112	Cell Line	MOLT-4	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT379	Cell Line	HOP-62	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT380	Cell Line	U-251	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT378	Cell Line	NCI/ADR-RES	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT382	Cell Line	OVCAR-5	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT381	Cell Line	OVCAR-8	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT572	Cell Line	DMS-273	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT383	Cell Line	SNB-19	Homo sapiens	GI50		99083.19	nM	PubChem BioAssay data set
NPT323	Cell Line	SW-620	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT573	Cell Line	M19-MEL	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT455	Cell Line	NCI-H522	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT386	Cell Line	KM12	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT574	Cell Line	XF498	Homo sapiens	GI50		5767.66	nM	PubChem BioAssay data set
NPT389	Cell Line	RPMI-8226	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT388	Cell Line	NCI-H322M	Homo sapiens	GI50		248313.31	nM	PubChem BioAssay data set
NPT456	Cell Line	OVCAR-4	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT168	Cell Line	P388	Mus musculus	GI50		625172.69	nM	PubChem BioAssay data set
NPT390	Cell Line	LOX IMVI	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT147	Cell Line	SK-MEL-2	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT575	Cell Line	KM-20L2	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT81	Cell Line	A549	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT391	Cell Line	HCC 2998	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT392	Cell Line	SNB-75	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT148	Cell Line	HCT-15	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT395	Cell Line	SF-268	Homo sapiens	GI50		176603.78	nM	PubChem BioAssay data set
NPT393	Cell Line	HCT-116	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT394	Cell Line	EKVX	Homo sapiens	GI50		578096.05	nM	PubChem BioAssay data set
NPT83	Cell Line	MCF7	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT576	Cell Line	DMS-114	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT146	Cell Line	SK-OV-3	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT397	Cell Line	NCI-H460	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT398	Cell Line	UACC-62	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT552	Cell Line	P388/ADR	Mus musculus	GI50		625172.69	nM	PubChem BioAssay data set
NPT308	Cell Line	CAKI-1	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT458	Cell Line	IGROV-1	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT399	Cell Line	SF-295	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT403	Cell Line	UACC-257	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT578	Cell Line	SNB-78	Homo sapiens	GI50		244343.06	nM	PubChem BioAssay data set
NPT404	Cell Line	CCRF-CEM	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT579	Cell Line	DLD-1	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT405	Cell Line	NCI-H226	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT170	Cell Line	SK-MEL-28	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT139	Cell Line	HT-29	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT407	Cell Line	COLO 205	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT406	Cell Line	RXF 393	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT732	Cell Line	HOP-18	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT738	Cell Line	SN12K1	Homo sapiens	GI50		625172.69	nM	PubChem BioAssay data set
NPT73	Individual Protein	Solute carrier organic anion transporter family member 1B1	Homo sapiens	Inhibition	=	99.09	%	23571415
NPT72	Individual Protein	Solute carrier organic anion transporter family member 1B3	Homo sapiens	Inhibition	=	108.53	%	23571415
NPT1531	Organism	Enterococcus faecium	Enterococcus faecium	IC50	>	7700000	nM	137981
NPT4129	Organism	Lactobacillus casei	Lactobacillus casei	IC50	>	7700000	nM	137981
NPT2	Others	Unspecified		IC50	>	7700000	nM	137981
NPT19	Organism	Escherichia coli	Escherichia coli	IC50	>	7700000	nM	137981
NPT4743	Cell Line	Jensen sarcoma	Rattus norvegicus	Activity	=	0	%	814238
NPT4743	Cell Line	Jensen sarcoma	Rattus norvegicus	Activity	=	5	%	814238

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 NPC155512 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	46
0.1-0.2	10064
0.2-0.3	13284
0.3-0.4	6527
0.4-0.5	741
0.5-0.6	158
0.6-0.7	56
0.7-0.8	13
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.7692	Intermediate Similarity	NPC112890
0.7692	Intermediate Similarity	NPC316231
0.7692	Intermediate Similarity	NPC324825
0.74	Intermediate Similarity	NPC323974
0.7358	Intermediate Similarity	NPC174246
0.7358	Intermediate Similarity	NPC162620
0.7358	Intermediate Similarity	NPC43204
0.7358	Intermediate Similarity	NPC84636
0.7358	Intermediate Similarity	NPC245027
0.7358	Intermediate Similarity	NPC62045
0.7358	Intermediate Similarity	NPC226027
0.7143	Intermediate Similarity	NPC183845
0.7143	Intermediate Similarity	NPC279661
0.6949	Remote Similarity	NPC319279
0.6923	Remote Similarity	NPC327698
0.6923	Remote Similarity	NPC118459
0.6923	Remote Similarity	NPC15864
0.6875	Remote Similarity	NPC222327
0.6875	Remote Similarity	NPC188231
0.6852	Remote Similarity	NPC140872
0.6852	Remote Similarity	NPC93081
0.678	Remote Similarity	NPC278209
0.6667	Remote Similarity	NPC176164
0.6667	Remote Similarity	NPC9294
0.6667	Remote Similarity	NPC189301
0.6607	Remote Similarity	NPC50457
0.6557	Remote Similarity	NPC320598
0.6557	Remote Similarity	NPC268927
0.6557	Remote Similarity	NPC254541
0.6557	Remote Similarity	NPC276928
0.6557	Remote Similarity	NPC64250
0.6538	Remote Similarity	NPC276294
0.6531	Remote Similarity	NPC252843
0.6452	Remote Similarity	NPC329564
0.6452	Remote Similarity	NPC68974
0.6452	Remote Similarity	NPC327170
0.6415	Remote Similarity	NPC126925
0.6415	Remote Similarity	NPC325097
0.6415	Remote Similarity	NPC132307
0.6393	Remote Similarity	NPC190385
0.6349	Remote Similarity	NPC302188
0.6346	Remote Similarity	NPC248763
0.6346	Remote Similarity	NPC325452
0.6316	Remote Similarity	NPC137958
0.6316	Remote Similarity	NPC273330
0.629	Remote Similarity	NPC321468
0.629	Remote Similarity	NPC317143
0.629	Remote Similarity	NPC316826
0.629	Remote Similarity	NPC327748
0.623	Remote Similarity	NPC318260
0.623	Remote Similarity	NPC317147
0.6207	Remote Similarity	NPC322946
0.6154	Remote Similarity	NPC326992
0.6154	Remote Similarity	NPC121517
0.6154	Remote Similarity	NPC168375
0.614	Remote Similarity	NPC476469
0.6129	Remote Similarity	NPC11433
0.6129	Remote Similarity	NPC245346
0.6129	Remote Similarity	NPC302003
0.6119	Remote Similarity	NPC314221
0.6119	Remote Similarity	NPC60424
0.6102	Remote Similarity	NPC190184
0.6102	Remote Similarity	NPC197087
0.6071	Remote Similarity	NPC101249
0.6061	Remote Similarity	NPC278881
0.6042	Remote Similarity	NPC18224
0.6042	Remote Similarity	NPC328710
0.6042	Remote Similarity	NPC175342
0.6	Remote Similarity	NPC329263
0.5962	Remote Similarity	NPC3531
0.5926	Remote Similarity	NPC107645
0.5926	Remote Similarity	NPC291186
0.5926	Remote Similarity	NPC167986
0.5915	Remote Similarity	NPC315897
0.5902	Remote Similarity	NPC2801
0.5893	Remote Similarity	NPC314679
0.5806	Remote Similarity	NPC38463
0.5806	Remote Similarity	NPC325985
0.58	Remote Similarity	NPC317203
0.5797	Remote Similarity	NPC107224
0.5769	Remote Similarity	NPC18188
0.5714	Remote Similarity	NPC55023
0.569	Remote Similarity	NPC477878
0.569	Remote Similarity	NPC324793
0.5686	Remote Similarity	NPC134782
0.5686	Remote Similarity	NPC155263
0.5645	Remote Similarity	NPC322573
0.5614	Remote Similarity	NPC136476
0.5614	Remote Similarity	NPC49952
0.5606	Remote Similarity	NPC118429

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC155512 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	56
0.1-0.2	3979
0.2-0.3	3663
0.3-0.4	1100
0.4-0.5	249
0.5-0.6	77
0.6-0.7	25
0.7-0.8	12
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
0.7692	Intermediate Similarity	NPD9044	Approved
0.7692	Intermediate Similarity	NPD8947	Approved
0.7692	Intermediate Similarity	NPD9016	Clinical (unspecified phase)
0.7692	Intermediate Similarity	NPD8946	Approved
0.7647	Intermediate Similarity	NPD8850	Approved
0.74	Intermediate Similarity	NPD9019	Approved
0.7358	Intermediate Similarity	NPD9018	Approved
0.7358	Intermediate Similarity	NPD9017	Approved
0.7193	Intermediate Similarity	NPD8979	Approved
0.7193	Intermediate Similarity	NPD8981	Clinical (unspecified phase)
0.7193	Intermediate Similarity	NPD8980	Approved
0.7193	Intermediate Similarity	NPD9454	Approved
0.6984	Remote Similarity	NPD9201	Clinical (unspecified phase)
0.6949	Remote Similarity	NPD9439	Approved
0.6949	Remote Similarity	NPD9438	Approved
0.6875	Remote Similarity	NPD9421	Phase 1
0.6852	Remote Similarity	NPD8809	Approved
0.6852	Remote Similarity	NPD8808	Approved
0.6774	Remote Similarity	NPD9676	Phase 3
0.6415	Remote Similarity	NPD8798	Approved
0.6393	Remote Similarity	NPD9023	Clinical (unspecified phase)
0.6364	Remote Similarity	NPD375	Phase 2
0.6351	Remote Similarity	NPD9385	Clinical (unspecified phase)
0.6349	Remote Similarity	NPD9656	Approved
0.6316	Remote Similarity	NPD8872	Phase 3
0.6316	Remote Similarity	NPD8871	Approved
0.6286	Remote Similarity	NPD9217	Clinical (unspecified phase)
0.6207	Remote Similarity	NPD9441	Phase 2
0.6197	Remote Similarity	NPD632	Discontinued
0.6129	Remote Similarity	NPD8865	Approved
0.6102	Remote Similarity	NPD8785	Approved
0.6102	Remote Similarity	NPD8851	Phase 1
0.6081	Remote Similarity	NPD617	Approved
0.6071	Remote Similarity	NPD8867	Approved
0.6071	Remote Similarity	NPD8866	Approved
0.6053	Remote Similarity	NPD9307	Phase 1
0.6034	Remote Similarity	NPD9212	Clinical (unspecified phase)
0.5962	Remote Similarity	NPD77	Approved
0.5962	Remote Similarity	NPD9450	Approved
0.5926	Remote Similarity	NPD8805	Approved
0.5926	Remote Similarity	NPD8804	Approved
0.5915	Remote Similarity	NPD1825	Clinical (unspecified phase)
0.5893	Remote Similarity	NPD8801	Approved
0.5893	Remote Similarity	NPD634	Phase 3
0.5882	Remote Similarity	NPD9449	Clinical (unspecified phase)
0.5867	Remote Similarity	NPD3732	Approved
0.5849	Remote Similarity	NPD9635	Discontinued
0.5797	Remote Similarity	NPD9451	Clinical (unspecified phase)
0.5769	Remote Similarity	NPD8623	Phase 1
0.5694	Remote Similarity	NPD1147	Phase 2
0.5625	Remote Similarity	NPD9433	Approved
0.5606	Remote Similarity	NPD9014	Approved

Structure

External Identifiers

PubChem CID	6918961;2901
ChEMBL	CHEMBL295830
ZINC

Physicochemical Properties

Molecular Weight:	129.08
ALogP:	-1.3394
MLogP:	1.79
XLogP:	-2.338
# Rotatable Bonds:	3
Polar Surface Area:	63.32
# H-Bond Aceptor:	3
# H-Bond Donor:	2
# Rings:	1
# Heavy Atoms:	9

Download Data

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Structure MOL file
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