General
Preferred name
ACROLEIN
Synonyms
Aerolein ()
P&D ID
PD048144
CAS
25068-14-8
107-02-8
Tags
available
drug candidate
Drug indication
Discovery agent
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Acrolein is the simplest unsaturated aldehyde. It is produced by microorganisms and is ubiquitous in the environment. It is used commercially as a biocide and in the synthesis of acrylic acid. Acrolein is highly toxic, reactive, and irritating.
Acrolein is a known metabolite of the chemotherapy drugs cyclophosphamide and ifosfamide. The acrolein that's produced during treatment with these alkylating agents collects in the urinary bladder and can cause hemorrhagic cystitis if not managed effectively. (GtoPdb)
Acrolein is a known metabolite of the chemotherapy drugs cyclophosphamide and ifosfamide. The acrolein that's produced during treatment with these alkylating agents collects in the urinary bladder and can cause hemorrhagic cystitis if not managed effectively. (GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
4
Organisms
0
Compound Sets
6
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
38
Molecular Weight
56.03
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
0
Aromatic Ring Count
0
cLogP
0.37
TPSA
17.07
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
0.0
QED
0.31
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
