General
Preferred name
Orelabrutinib
Synonyms
ICP-022 ()
Orelabrutinib (ICP-022) ()
ICP022 ()
INNOBRUKA ()
P&D ID
PD126927
CAS
1655504-04-3
Tags
available
covalent binder
drug
Drug indication
Chronic lymphocytic leukaemia
Relapsing-remitting multiple sclerosis
Diffuse large B-cell lymphoma
Small lymphocytic lymphoma
Drug Status
approved
investigational
Max Phase
3.0
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 Orelabrutinib (ICP-022) is a potent, orally active, and irreversible Bruton's tyrosine kinase (BTK) inhibitor with potential antineoplastic activity. Orelabrutinib prevents both the activation of the B-cell antigen receptor (BCR) signaling pathway and BTK-mediated activation of downstream survival pathways, inhibiting the growth of malignant B-cells that overexpress BTK[1][2].
PRICE 292
DESCRIPTION The chemical structure that was submitted to the WHO for the INN orelabrutinib, is identical to the structure of example 3 that is claimed as a BTK inhibitor in patent WO2015048662A2 . The inhibitors in WO2015048662A2 are claimed for their potential to treat cancers and inflammatory/autoimmune diseases that are mediated, at least in part, by Bruton's tyrosine kinase (BTK). Innocare Pharma have declared the ICP-022>orelabrutinib association on their company news webpage. Orelabrutinib is an orally administered, potent, irreversible and selective BTK-inhibitor. (GtoPdb)
DESCRIPTION Orelabrutinib (ICP-022) is an orally active and irreversible inhibitor of Bruton's tyrosine kinase (BTK). (TargetMol Bioactive Compound Library)
Compound Sets
9
ChEMBL Drugs
CHEMBL4650321
CovalentInDB
CI008329
DrugBank
DB16272
DrugMAP
DMU72KL
Guide to Pharmacology
10629
MedChem Express Bioactive Compound Library
HY-129390
PKIDB
Selleckchem Bioactive Compound Library
orelabrutinib
TargetMol Bioactive Compound Library
T12317
External IDs
13
Properties
(calculated by RDKit )
Molecular Weight
427.19
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
6
Ring Count
4
Aromatic Ring Count
3
cLogP
4.53
TPSA
85.52
Fraction CSP3
0.19
Chiral centers
0.0
Largest ring
6.0
QED
0.59
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
BTK
Pathway
Angiogenesis
Tyrosine Kinase/Adaptors
Protein Tyrosine Kinase/RTK
Source data