General
Preferred name
LACTOQUINOMYCIN
Synonyms
P&D ID
PD128825
CAS
60227-09-0
Tags
covalent binder
drug candidate
natural product
probe
Drug indication
Haematological malignancy
Probe info
Probe selectivity
protein-selective
Probe type
calculated probe
Probe sources
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Probe control not defined
Orthogonal probes
5
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 ]]
Cell lines
2
Organisms
0
Compound Sets
4
CovalentInDB
DrugMAP
Novartis Chemogenetic Library (NIBR MoA Box)
Probe Miner (suitable probes)
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
9
Properties
(calculated by RDKit )
Molecular Weight
457.17
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
5
Aromatic Ring Count
1
cLogP
1.31
TPSA
122.6
Fraction CSP3
0.54
Chiral centers
7.0
Largest ring
6.0
QED
0.63
Structural alerts
1
quinone_A(370)
[!#6&!#1]=[#6]-1-[#6]=,:[#6]-[#6](=[!#6&!#1])-[#6]=,:[#6]-1
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Member status
member
MOA
Protein Kinase B (PKB/Akt) Inhibitors
Therapeutic Class
Anticancer Agents
Source data
