General
Preferred name
Ro-31-4724
Synonyms
[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER ()
P&D ID
PD004360
CAS
112105-54-1
Tags
drug candidate
natural product
Drug indication
Arthritis
Drug Status
experimental
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
13
Properties
(calculated by RDKit )
Molecular Weight
401.25
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
4
Rotatable Bonds
12
Ring Count
0
Aromatic Ring Count
0
cLogP
1.14
TPSA
133.83
Fraction CSP3
0.79
Chiral centers
3.0
Largest ring
0.0
QED
0.22
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
