General Information of the Compound
Compound ID
CP0043610
Compound Name
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
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Synonyms
4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-thiazolyl]amino]phenyl]benzamide
790299-79-5
AB 1010
AB-1010
AB1010
C28H30N6OS
CHEBI:63450
CHEMBL1908391
M59NC4E26P
Masatinib
Masitinib
Masitinib (AB1010)
Masitinib (INN)
Masitinib [INN]
Masivet
N-(4-Methyl-3-((4-(pyridin-3-yl)thiazol-2-yl)amino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide
N-(4-methyl-3-(4-(pyridin-3-yl)thiazol-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide
Q-201339
UNII-M59NC4E26P
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Structure
Formula
C28H30N6OS
Molecular Weight
498.656
Canonical SMILES
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
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InChI
InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36-28)23-4-3-11-29-17-23)30-27(35)22-8-6-21(7-9-22)18-34-14-12-33(2)13-15-34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32)
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InChIKey
WJEOLQLKVOPQFV-UHFFFAOYSA-N
CAS
790299-79-5
Physicochemical Property
logP
5.25682
Rotatable Bonds
7
Heavy Atom Count
36
Polar Areas
73.39
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
36

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 10074640
SID: 15060116
ChEMBL ID
CHEMBL1908391
DrugBank ID
DB11526
Clinical Information about the Compound
Drug 1 ( Masitinib )
Drug Name Masitinib
Company AB Science
Indication
Gastrointestinal stromal tumour
Phase 3
Ovarian cancer
Phase 3
Pancreatic cancer
Phase 3
Multiple sclerosis
Phase 3
Amyotrophic lateral sclerosis
Phase 3
Metastatic gastric or gastroesophageal junction cancer
Phase 3
Target(s)
Proto-oncogene c-Src (SRC)
Inhibitor