Drug Information

Drug General Information

Top

Drug ID

D0CH7U

Former ID

DNC003068

Drug Name

2'-Monophosphoadenosine-5'-Diphosphate

Synonyms

2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE; adenosine 2'-(dihydrogen phosphate) 5'-(trihydrogen diphosphate); 2-Phospho-adenosine diphosphate; 1afl; AC1L4WBL; phosphoadenosine diphosphate; AC1Q6S1C; 2'P-ADP; SCHEMBL905455; 5'-Diphosphoadenosine 2'-phosphate; DB02363; Adenosine 2'-phosphoric acid 5'-diphosphoric acid; Adenosine 5'-(trihydrogen diphorphate), 2'-(dihydrogen phosphate); [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl phosphono hydrogen phosphate

Click to Show/Hide

Drug Type

Small molecular drug

Indication

Discovery agent [ICD-11: N.A.]

Investigative

[1]

Structure

Download

2D MOL

3D MOL

Formula

C10H16N5O13P3

Canonical SMILES

C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N

InChI

1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(27-29(17,18)19)6(16)4(26-10)1-25-31(23,24)28-30(20,21)22/h2-4,6-7,10,16H,1H2,(H,23,24)(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1

InChIKey

YPTPYQSAVGGMFN-KQYNXXCUSA-N

CAS Number

CAS 4457-01-6

PubChem Compound ID

165230

PubChem Substance ID

819210, 819377, 829975, 830120, 7886001, 24778804, 26710565, 26710572, 26710573, 26710915, 26715227, 26716305, 29196098, 46239320, 46391422, 56373942, 57350702, 75891235, 81059451, 81061062, 81064705, 85098316, 85177084, 85747777, 103061080, 103810796, 113455986, 117627060, 117682612, 121360510, 121360511, 124361096, 124361831, 124756273, 124756277, 124756282, 124807163, 124807165, 126920427, 129830506, 134356879, 134356880, 134465057, 135121747, 143472561, 143472565, 143472569, 144241984, 152146287, 152188050

Target and Pathway

Top

Target(s)

Polypeptide deformylase (PDF)

Target Info

Inhibitor

[1]

Pathwhiz Pathway

Folate Metabolism

Pterine Biosynthesis

Reactome

E2F mediated regulation of DNA replication