General
Preferred name
PD005053
Synonyms
N-[(2R,3S)-1-((2S)-2-{[(CYCLOPENTYLAMINO)CARBONYL]AMINO}-3-METHYLBUTANOYL)-2-(1-FORMYL-1-CYCLOBUTYL)PYRROLIDINYL]CYCLOPROPANECARBOXAMIDE ()
P&D ID
PD005053
Tags
drug candidate
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 ]]
Compound Sets
1
DrugBank
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
6
Properties
(calculated by RDKit )
Molecular Weight
446.29
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
8
Ring Count
4
Aromatic Ring Count
0
cLogP
2.12
TPSA
107.61
Fraction CSP3
0.83
Chiral centers
3.0
Largest ring
5.0
QED
0.5
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
