General
Preferred name
NILOTINIB HYDROCHLORIDE MONOHYDRATE
Synonyms
Nilotinib (monohydrochloride monohydrate) ()
AMN107 (monohydrochloride monohydrate) ()
AMN107 ()
Nilotinib monohydrochloride monohydrate ()
Tasigna, AMN-107 hydrochloride monohydrate ()
Nilotinib hydrochloride hydrate ()
Nilotinib hydrochloride anhydrous ()
Nilotinib (as hydrochloride) ()
Nilotinib hydrochloride ()
Tasigna ()
Nilotinib (hydrochloride hydrate) ()
P&D ID
PD013040
CAS
923288-90-8
Tags
available
drug
Drug Status
approved
Max Phase
4.0
Drug indication
chronic myelogenous leukemia
First approval
2007
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 Nilotinib monohydrochloride monohydrate is a second generation tyrosine kinase inhibitor (TKI), is significantly potent against BCR-ABL, and is active against many BCR-ABL mutants.
PRICE 29
DESCRIPTION Nilotinib monohydrochloride monohydrate (Nilotinib (monohydrochloride monohydrate)) is significantly potent BCR-ABL against, is a second generation tyrosine kinase inhibitor (TKI), and is active against many BCR-ABL mutants. (TargetMol Bioactive Compound Library)
Compound Sets
8
AdooQ Bioactive Compound Library
A15186
Cayman Chemical Bioactives
36628
ChEMBL Approved Drugs
CHEMBL1201740
ChEMBL Drugs
CHEMBL1201740
EU-OPENSCREEN Bioactive Compound Library
EOS100700
MedChem Express Bioactive Compound Library
HY-10159A
Selleckchem Bioactive Compound Library
nilotinib-hydrochloride-monohydrate
TargetMol Bioactive Compound Library
T2147
External IDs
11
Properties
(calculated by RDKit )
Molecular Weight
583.17
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
5
Aromatic Ring Count
5
cLogP
5.95
TPSA
129.12
Fraction CSP3
0.11
Chiral centers
0.0
Largest ring
6.0
QED
0.25
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Angiogenesis
Autophagy
Cytoskeletal Signaling
Tyrosine Kinase/Adaptors
Protein Tyrosine Kinase/RTK
Target
AMPK,Autophagy,Bcr-Abl
Bcr-Abl
Source data