General
Preferred name
DEOXYURIDINE MONOPHOSPHATE
Synonyms
2'-deoxyuridylic acid ()
dUMP ()
2'-Deoxyuridine 5'-monophosphate disodium salt ()
2'-Deoxyuridine 5'-monophosphate disodium ()
P&D ID
PD007229
CAS
42155-08-8
135556-16-0
964-26-1
Tags
available
covalent binder
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 29
DESCRIPTION 2'-Deoxyuridine 5'-monophosphate disodium (2'-dUMP?2Na) salt is utilized by the enzyme thymidylate synthetase (TS) for the de novo synthesis of dTMP and serves as the reference substrate in studies of dUMP analogues for potential chemotherapy applications.
Cell lines
0
Organisms
1
Compound Sets
4
CovBinderInPDB
CBR000591
CBR001319
CBR001320
CBR001321
CBR001322
CBR001563
CBR001564
CBR001787
CBR001788
CBR001789
CBR001790
CBR001791
CBR001792
CBR001793
CBR001794
CBR001805
CBR002246
CBR003572
CBR003573
CBR003574
CBR003575
CBR003576
CBR003577
CBR004200
CBR004201
CBR004203
CBR004204
CBR004230
CBR004306
CBR004307
CBR004625
CBR004626
CBR005208
CBR005209
CBR005210
CBR005211
CBR005212
CBR005213
CBR005214
CBR005215
CBR005216
CBR005217
CBR005218
CBR005219
CBR005220
CBR005221
CBR005222
CBR005223
CBR005233
CBR005234
CBR005458
CBR005788
CBR005799
CBR005800
CBR005802
CBR005803
CBR007562
CBR007563
DrugBank
DB03800
DrugMAP
DMPV1LU
Selleckchem Bioactive Compound Library
2-deoxyuridine-5-monophosphate-disodium-salt
External IDs
51
Properties
(calculated by RDKit )
Molecular Weight
308.04
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
4
Rotatable Bonds
4
Ring Count
2
Aromatic Ring Count
1
cLogP
-1.71
TPSA
151.08
Fraction CSP3
0.56
Chiral centers
3.0
Largest ring
6.0
QED
0.48
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Thymidylate Synthase
Source data