General
Preferred name
BENIDIPINE
Synonyms
KW-3049 ()
(¡À)-Benidipine ()
Coniel ()
Benidipine hydrochloride ()
Benidipino ()
P&D ID
PD067131
CAS
91599-74-5
85387-35-5
Tags
available
drug
Drug Status
approved
investigational
Max Phase
3.0
Drug indication
Cardiovascular disease
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Benidipine is a dihydropyridine class, triple L-, T-, and N-type calcium channel blocker. The approved drug is a mixture of enantiomers and is administered as the hydrochloride salt. We show the chemical structure without specified stereochemistry to represent the mixture. The consensus PubChem compound for benidipine is CID 656668. (GtoPdb)
Compound Sets
4
ChEMBL Drugs
CHEMBL2074972
DrugMatrix
Guide to Pharmacology
10159
Other bioactive compounds
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
505.22
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
1
Rotatable Bonds
7
Ring Count
4
Aromatic Ring Count
2
cLogP
4.21
TPSA
111.01
Fraction CSP3
0.36
Chiral centers
2.0
Largest ring
6.0
QED
0.34
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
EGFR inhibitor
Src inhibitor
Pathway
Angiogenesis
JAK/STAT Signaling
Tyrosine Kinase/Adaptors
Target
EGFR (L861Q)
c-Src
c-YES
LCK
Lyn
Source data