178606-66-1
1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)urea
Molecular Identity
178606-66-1
1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)urea
PubChem CID: 310360
SLC-0111 is it is a potent carbonic anhydrase inhibitor (Ki = 45.1 nM and 4.5 nM for CA IX and CA XII, respectively) that is in clinical trials for the treatment of hypoxic malignancies. It has a role as an EC 4.2.1.1 (carbonic anhydrase) inhibitor and an antineoplastic agent. It is a member of phenylureas, a sulfonamide and a member of monofluorobenzenes.
2D Structure
Properties
C13H12FN3O3S
Molecular Formula
309.32
Molecular Weight
g/mol
309.0583
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
110
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
450
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
178606-66-1U-1041-(4-fluorophenyl)-3-(4-sulfamoylphenyl)ureaSLC-0111SLC0111NSC-213841ANM9DBL9JTRefChem:183370CAIX Inhibitor SLC-01114-(3-(4-fluorophenyl)ureido)benzenesulfonamide4-{[(4-Fluorophenyl)carbamoyl]amino}benzenesulfonamideMFCD00159265mst-104U104C13H12FN3O3S
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 178606-66-1
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