NPASS Natural Product

Natural Product: NPC103388

Natural Product ID:	NPC103388
Common Name:	Formycin
IUPAC Name:	(2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Synonyms:
Molecular Formula:	C10H13N5O4
Standard InCHIKey:	KBHMEHLJSZMEMI-KSYZLYKTSA-N
Standard InCHI:	InChI=1S/C10H13N5O4/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(18)7(17)3(1-16)19-9/h2-3,7-9,16-18H,1H2,(H,14,15)(H2,11,12,13)/t3-,7-,8-,9+/m1/s1
Canonical SMILES:	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)c1[nH]nc2c1ncnc2N
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Show entries

Search:

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO13952	Streptomyces lavendulae	Species	Streptomycetaceae	Bacteria				StreptomeDB*

Showing 1 to 1 of 1 entries

Previous1Next

Biological Activity

Activity Type	# Activity
IC50	3
MIC	12
Others	21

Activity Type	# Activity
Cell Line	7
Individual Protein	1
Organism	24
Others	4

Show entries

Search:

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1049	Organism	Measles virus	Measles virus	MIC50	>	10	ug/ml	3820218
NPT1049	Organism	Measles virus	Measles virus	MIC	>=	40	ug/ml	6737436
NPT1106	Organism	Human poliovirus 1	Human poliovirus 1	MIC50	>	1	ug/ml	3820218
NPT1106	Organism	Human poliovirus 1	Human poliovirus 1	MIC	=	10	ug/ml	6737436
NPT1141	Organism	Human herpesvirus 2	Human herpesvirus 2	MIC50	=	8	ug/ml	3820218
NPT1141	Organism	Human herpesvirus 2	Human herpesvirus 2	MIC	=	4	ug/ml	6737436
NPT1291	Individual Protein	Purine nucleoside phosphorylase	Homo sapiens	Activity	=	0	%	31484
NPT137	Cell Line	L1210	Mus musculus	ID50	=	27.6	nM	3783585
NPT137	Cell Line	L1210	Mus musculus	MIC50	=	3.7	ug/ml	3820218
NPT137	Cell Line	L1210	Mus musculus	MIC50	=	7.5	ug/ml	3820218

Showing 1 to 10 of 36 entries

Previous1 2 3 4Next

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 NPC103388 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	462
0.1-0.2	6189
0.2-0.3	15323
0.3-0.4	5825
0.4-0.5	2228
0.5-0.6	796
0.6-0.7	62
0.7-0.8	4
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Show entries

Search:

Similarity Score	Similarity Level	Natural Product ID
0.56	Remote Similarity	NPC79293
0.56	Remote Similarity	NPC317746
0.56	Remote Similarity	NPC279401
0.5602	Remote Similarity	NPC471506
0.5603	Remote Similarity	NPC471736

Showing 1 to 5 of 183 entries

Previous1 2 3 4 5…37Next

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC103388 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	202
0.1-0.2	968
0.2-0.3	1550
0.3-0.4	3145
0.4-0.5	1915
0.5-0.6	1210
0.6-0.7	163
0.7-0.8	8
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Show entries

Search:

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.5922	Remote Similarity	NPD1016	Phase 2
0.5926	Remote Similarity	NPD3838	Phase 3
0.5926	Remote Similarity	NPD6760	Discontinued
0.5929	Remote Similarity	NPD4886	Phase 2
0.5931	Remote Similarity	NPD8458	Clinical (unspecified phase)

Showing 1 to 5 of 200 entries

Previous1 2 3 4 5…40Next

Structure

External Identifiers

PubChem CID	447199
ChEMBL	CHEMBL471524
ZINC

Physicochemical Properties

Molecular Weight:	267.10
ALogP:	-2.8953
MLogP:	1.57
XLogP:	-1.881
# Rotatable Bonds:	6
Polar Surface Area:	150.4
# H-Bond Aceptor:	9
# H-Bond Donor:	5
# Rings:	3
# Heavy Atoms:	19

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs