General
Preferred name
EMIVIRINE
Synonyms
MKC-442 ()
Coactinon ()
P&D ID
PD004661
CAS
149950-60-7
Tags
drug candidate
natural product
available
Drug indication
Human immunodeficiency virus infection
Drug Status
investigational
Max Phase
Phase 2
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 ]]
Cell lines
2
Organisms
2
Compound Sets
6
ChEMBL Drugs
DrugBank
DrugMAP
DrugMatrix
MedChem Express Bioactive Compound Library
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
302.16
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
6
Ring Count
2
Aromatic Ring Count
2
cLogP
2.24
TPSA
64.09
Fraction CSP3
0.41
Chiral centers
0.0
Largest ring
6.0
QED
0.89
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Target
HIV
Source data
