Azd7762
3-(carbamoylamino)-5-(3-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
Molecular Identity
Azd7762
3-(carbamoylamino)-5-(3-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
PubChem CID: 11152667
AZD7762 is a member of the class of thiophenes that is thiophene substituted by N-[(3S)-piperidin-3-yl]aminocarbonyl, carbamoylamino, and 3-fluorophenyl groups at positions 2, 3 and 5, respectively. It is a potent ATP-competitive checkpoint kinase inhibitor (IC50 = 5 nM for Chk1). It has a role as an antineoplastic agent, an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor and an apoptosis inducer. It is a secondary carboxamide, a member of piperidines, a member of thiophenes, a member of ureas, an aromatic amide and a member of monofluorobenzenes.
2D Structure
Properties
C17H19FN4O2S
Molecular Formula
362.40
Molecular Weight
g/mol
362.1213
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
124
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
5
H-Bond Acceptors
495
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)NIsomeric SMILES
SMILES: C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)NSynonyms(20)
AZD7762AZD 7762RefChem:560464CHECKPOINT KINASE INHIBITOR AZD7762860352-01-8AZD-7762(S)-5-(3-Fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide3-(Carbamoylamino)-5-(3-Fluorophenyl)-N-[(3s)-Piperidin-3-Yl]thiophene-2-Carboxamide860352-01-8 (free base)CHEMBL20419335D822Y3L1HMFCD124060075-(3-Fluorophenyl)-N-[(3s)-3-Piperidyl]-3-Ureido-Thiophene-2-Carboxamide2-Thiophenecarboxamide, 3-((aminocarbonyl)amino)-5-(3-fluorophenyl)-N-(3S)-3-piperidinyl-1246094-78-9
Data from PubChem (NCBI)
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Drug Network
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