General
Preferred name
GEMCITABINE ELAIDATE
Synonyms
CO-101 hydrochloride ()
Gemcitabine elaidate hydrochloride(210829-30-4(free base)) ()
Gemcitabine 5'-elaidate hydrochloride ()
CP-4126 hydrochloride ()
CO-101 ()
Gemcitabine elaidate (hydrochloride) ()
Gemcitabine elaidate hydrochloride ()
CP-4126 ()
Gemcitabine 5'-elaidate ()
CP-4126 (hydrochloride) ()
CO-101 (hydrochloride) ()
Gemcitabine 5'-elaidate (hydrochloride) ()
Elaidate de gemcitabine ()
CO-1.01 ()
Elaidato de gemcitabina ()
P&D ID
PD012701
CAS
210829-30-4
2918768-08-6
Tags
available
prodrug
drug candidate
Drug indication
Pancreatic cancer
Neoplasm
Drug Status
investigational
Max Phase
2.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Gemcitabine elaidate (CP-4126) is lipophilic pro-agent of Gemcitabine. Gemcitabine elaidate is converted to Gemcitabine by esterases in order to be phosphorylated. Gemcitabine elaidate exhibits anti-tumor activity[1][2].
DESCRIPTION Gemcitabine elaidate (CP-4126) hydrochloride is lipophilic pro-agent of Gemcitabine. Gemcitabine elaidate hydrochloride is converted to Gemcitabine by esterases in order to be phosphorylated. Gemcitabine elaidate hydrochloride exhibits anti-tumor activity[1][2].
PRICE 104
DESCRIPTION Gemcitabine elaidate (CP-4126) hydrochloride is a lipophilic pro-drug of Gemcitabine, converted to Gemcitabine by esterases for phosphorylation. Unlike gemcitabine, Gemcitabine elaidate hydrochloride can be administered orally, displaying schedule and dose-dependent toxicity and antitumor activity. (TargetMol Bioactive Compound Library)
Compound Sets
8
Cayman Chemical Bioactives
28303
ChEMBL Drugs
CHEMBL3039516
Drug Repurposing Hub
DrugBank
DB12564
DrugMAP
DMH5GQU
MedChem Express Bioactive Compound Library
HY-13538
HY-13538A
ReFrame library
TargetMol Bioactive Compound Library
T15378L
External IDs
33
Properties
(calculated by RDKit )
Molecular Weight
527.32
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
2
Rotatable Bonds
18
Ring Count
2
Aromatic Ring Count
1
cLogP
5.3
TPSA
116.67
Fraction CSP3
0.74
Chiral centers
3.0
Largest ring
6.0
QED
0.15
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
CMPK1, RRM1, TYMS
Nucleoside antimetabolite/analog
MOA
apoptosis inhibitor, DNA synthesis inhibitor
Pathway
Apoptosis
Autophagy
Cell Cycle/DNA Damage
Source data