Sb-743921
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-2-methylpropyl]-4-methylbenzamide
Molecular Identity
Sb-743921
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-2-methylpropyl]-4-methylbenzamide
PubChem CID: 9936388
SB-743921 is a chromone that is 4H-chromen-4-one substituted by (1R)-1-[(3-aminopropyl)(4-methylbenzoyl)amino]-2-methylpropyl, benzyl, and chloro groups at positions 2, 3, and 7, respectively. It is a potent inhibitor of kinesin spindle protein (Ki = 0.1 nM) and exhibits antineoplastic activity. It has a role as an antineoplastic agent, a microtubule-destabilising agent and an apoptosis inducer. It is a tertiary carboxamide, a member of benzamides, a member of benzenes, a member of chromones, a member of toluenes, an organochlorine compound and a primary amino compound.
2D Structure
Properties
C31H33ClN2O3
Molecular Formula
517.10
Molecular Weight
g/mol
516.2180
Exact Mass
Da
6.2
XLogP
Above Lipinski threshold
72.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
813
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=C(C(=O)C3=C(O2)C=C(C=C3)Cl)CC4=CC=CC=C4)C(C)CIsomeric SMILES
SMILES: CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=C(C(=O)C3=C(O2)C=C(C=C3)Cl)CC4=CC=CC=C4)C(C)CSynonyms(20)
SB-743921SB-743921 free baseSB 743921UNII-24DSZ1VN92SB 743921 [WHO-DD]Benzamide, N-(3-aminopropyl)-N-((1R)-1-(7-chloro-4-oxo-3-(phenylmethyl)-4H-1-benzopyran-2-yl)-2-methylpropyl)-4-methyl-1067881-56-4Benzamide, N-(3-aminopropyl)-N-[(1R)-1-[7-chloro-4-oxo-3-(phenylmethyl)-4H-1-benzopyran-2-yl]-2-methylpropyl]-4-methyl-RefChem:181585KSP Inhibitor SB-743921940929-33-9SB743921618430-39-024DSZ1VN92N-(3-Aminopropyl)-N-[(1r)-1-(3-Benzyl-7-Chloro-4-Oxo-4h-Chromen-2-Yl)-2-Methylpropyl]-4-Methylbenzamide
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Sb-743921
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