General
Preferred name
PHENANTHRENE
Synonyms
Ravatite ()
NSC-26256 ()
Phenanthrene-d10 ()
P&D ID
PD125798
CAS
85-01-8
1517-22-2
Tags
available
drug candidate
Drug Status
investigational
Max Phase
1.0
Drug indication
Nicotine dependence
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
Phenanthrene is an orally active polycyclic aromatic hydrocarbon (PAH) that induces inflammation, oxidative stress, and apoptosis. Additionally, phenanthrene is commonly used to detect or assess PAH pollution in the environment[1][2][3][4].
DESCRIPTION
Phenanthrene is a polycyclic aromatic hydrocarbon. It is used as an indicator for monitoring polycyclic aromatic hydrocarbon contaminated matrices. Phenanthrene induces oxidative stress and inflammation.
(Enamine Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
0
Compound Sets
4
ChEMBL Drugs
Enamine Bioactive Compounds
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
34
Molecular Weight
178.08
Hydrogen Bond Acceptors
0
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
3
Aromatic Ring Count
3
cLogP
3.99
TPSA
0.0
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.46
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Apoptosis
Source data
