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name Structure Reference Source Properties Activities Metabolism

3'-Deoxyadenosine

AlkaPlorer ID: AK294800

Synonym: Cordycepin, 9-Cordyceposidoadenosine, Adenine cordyceposide

IUPAC Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol

Structure

SMILES: NC1=NC=NC2=C1N=CN2C1OC(CO)CC1O

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InChI: InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)

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InChIKey: OFEZSBMBBKLLBJ-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 251.246

TPSA？: 119.31000000000002

MolLogP？: -0.9508000000000008

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 17458.22 nM None
Homo sapiens A549 GI50 75683.29 nM None
Homo sapiens ACHN GI50 100000.0 nM None
Homo sapiens Arachidonate 15-lipoxygenase Potency 25118.9 nM None
Homo sapiens BT-549 GI50 29853.83 nM None
Homo sapiens CAKI-1 GI50 100000.0 nM None
Homo sapiens CCRF-CEM GI50 34276.78 nM None
Homo sapiens COLO 205 GI50 93540.57 nM None
Homo sapiens DU-145 GI50 30130.06 nM None
Homo sapiens EKVX GI50 40644.33 nM None
Homo sapiens HCC 2998 GI50 19010.78 nM None
Homo sapiens HCT-116 GI50 20044.72 nM None
Homo sapiens HCT-15 GI50 17619.76 nM None
Homo sapiens HL-60 GI50 10000.0 nM None
Homo sapiens HOP-62 GI50 29308.93 nM None
Homo sapiens HOP-92 GI50 40364.54 nM None
Homo sapiens Hs-578T GI50 25527.01 nM None
Homo sapiens IGROV-1 GI50 100000.0 nM None
Homo sapiens K562 GI50 7925.01 nM None
Homo sapiens KM12 GI50 21978.6 nM None
Homo sapiens LOX IMVI GI50 21379.62 nM None
Homo sapiens M14 GI50 38194.43 nM None
Homo sapiens MCF7 GI50 6081.35 nM None
Homo sapiens MDA-MB-231 GI50 17906.06 nM None
Homo sapiens MDA-MB-435 GI50 10000.0 nM None
Homo sapiens MDA-N GI50 38725.76 nM None
Homo sapiens MOLT-4 GI50 100000.0 nM None
Homo sapiens NCI/ADR-RES GI50 20323.57 nM None
Homo sapiens NCI-H226 GI50 100000.0 nM None
Homo sapiens NCI-H23 GI50 90782.05 nM None
Homo sapiens NCI-H322M GI50 26853.44 nM None
Homo sapiens NCI-H522 GI50 18030.18 nM None
Homo sapiens OVCAR-3 GI50 39264.49 nM None
Homo sapiens OVCAR-4 GI50 100000.0 nM None
Homo sapiens OVCAR-5 GI50 100000.0 nM None
Homo sapiens OVCAR-8 GI50 16634.13 nM None
Homo sapiens PC-3 GI50 9268.3 nM None
Homo sapiens RXF 393 GI50 100000.0 nM None
Homo sapiens SF-268 GI50 53703.18 nM None
Homo sapiens SF-295 GI50 58748.94 nM None
Homo sapiens SF-539 GI50 34673.69 nM None
Homo sapiens SK-MEL-28 GI50 25585.86 nM None
Homo sapiens SK-MEL-5 GI50 100000.0 nM None
Homo sapiens SK-OV-3 GI50 51880.0 nM None
Homo sapiens SN12C GI50 25585.86 nM None
Homo sapiens SNB-19 GI50 26915.35 nM None
Homo sapiens SNB-75 GI50 35156.04 nM None
Homo sapiens SR GI50 100000.0 nM None
Homo sapiens SW-620 GI50 35075.19 nM None
Homo sapiens TK-10 GI50 100000.0 nM None
Homo sapiens U-251 GI50 41686.94 nM None
Homo sapiens UACC-257 GI50 100000.0 nM None
Homo sapiens UACC-62 GI50 36643.76 nM None
Homo sapiens UO-31 GI50 100000.0 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 5011.9 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 7079.5 nM None
None NON-PROTEIN TARGET Potency 2658.6 nM None
None NON-PROTEIN TARGET Potency 6678.0 nM None
None NON-PROTEIN TARGET Potency 10583.9 nM None
None Unchecked EC50 500000.0 nM None
None Unchecked MIC 25000.0 nM None
None Unchecked MIC 33000.0 nM None
None Unchecked MIC 50000.0 nM None

Metabolism Information