General
Preferred name
Cephalosporin C
Synonyms
CEPHALOSPORIN C ZINC SALT ()
NSC-757790 ()
Cephalosporin C (zinc) ()
P&D ID
PD059694
CAS
39879-21-5
61-24-5
59143-60-1
Tags
available
covalent binder
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 63
DESCRIPTION Cephalosporin C zinc salt was a potent inhibitor of SAMHD1 (IC50 : 1.1 ?? 0.1 ??M), and this inhibition was largely attributable to the presence of zinc.
DESCRIPTION Antibiotic; interferes with cell wall synthesis (LOPAC library)
DESCRIPTION Cephalosporin C zinc salt was a potent inhibitor of SAMHD1 (IC50 : 1.1 ± 0.1 μM), and this inhibition was largely attributable to the presence of zinc. (TargetMol Bioactive Compound Library)
Compound Sets
8
Cayman Chemical Bioactives
33262
ChEMBL Drugs
CHEMBL482858
CovBinderInPDB
CBR006331
DrugBank
DB03313
DrugMAP
DMYW3ZG
LOPAC library
MedChem Express Bioactive Compound Library
HY-B1299A
HY-B1299
TargetMol Bioactive Compound Library
T7142
External IDs
37
Properties
(calculated by RDKit )
Molecular Weight
415.1
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
4
Rotatable Bonds
9
Ring Count
2
Aromatic Ring Count
0
cLogP
-0.29
TPSA
179.82
Fraction CSP3
0.56
Chiral centers
3.0
Largest ring
6.0
QED
0.17
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
Cell wall synthesis
Target
SAMHD1
Bacterial
antibiotic
Orthopoxvirus
Pathway
Anti-infection
Source data