General
Preferred name
PIROHEPTINE
Synonyms
Piroheptine hydrochloride ()
P&D ID
PD072915
CAS
16378-21-5
Tags
available
drug
Drug Status
approved
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
5
ChEMBL Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMatrix
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
14
Properties
(calculated by RDKit )
Molecular Weight
303.2
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
4
Aromatic Ring Count
2
cLogP
4.7
TPSA
3.24
Fraction CSP3
0.36
Chiral centers
1.0
Largest ring
7.0
QED
0.74
Structural alerts
1
styrene_A(13)
[#6]-2-[#6]-c:1:c(:c:c:c:c:1)-[#6](-c:3:c:c:c:c:c-2:3)=[#6]-[#6]
PAINS Family C
Related compounds
Custom attributes
(extracted from source data)
Source data
