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(Q59771381)
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KU-0060648
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
582.2300765680001
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₃H₃₄N₄O₄S
0 references
canonical SMILES
C(C)N1CCN(CC1)CC(=O)NC1=CC=C(C=2SC3=C(C21)C=CC=C3)C=3C=CC=C2C(C=C(OC32)N3CCOCC3)=O
1 reference
stated in
Chemosensitization of cancer cells by KU-0060648, a dual inhibitor of DNA-PK and PI-3K
Identifiers
InChI
InChI=1S/C33H34N4O4S/c1-2-35-12-14-36(15-13-35)21-29(39)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(38)20-30(41-32(22)24)37-16-18-40-19-17-37/h3-11,20H,2,12-19,21H2,1H3,(H,34,39)
0 references
InChIKey
AATCBLYHOUOCTO-UHFFFAOYSA-N
1 reference
stated in
ChEBI release 2020-09-01
PubChem CID
11964036
1 reference
matched by identifier from
InChIKey
InChIKey
AATCBLYHOUOCTO-UHFFFAOYSA-N
ChEBI ID
94302
mapping relation type
exact match
2 references
stated in
ChEBI release 2019-10-02
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C33H34N4O4S/c1-2-35-12-14-36(15-13-35)21-29(39)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(38)20-30(41-32(22)24)37-16-18-40-19-17-37/h3-11,20H,2,12-19,21H2,1H3,(H,34,39)
ChEMBL ID
CHEMBL1086377
1 reference
stated in
IUPHAR/BPS Guide to PHARMACOLOGY
retrieved
8 February 2021
SureChEMBL ID
SCHEMBL4111679
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AATCBLYHOUOCTO-UHFFFAOYSA-N
UniChem compound ID
360350
1 reference
stated in
UniChem
Guide to Pharmacology Ligand ID
8011
1 reference
stated in
IUPHAR/BPS Guide to PHARMACOLOGY
retrieved
5 February 2021
UNII
LM6DZS6PYA
1 reference
matched by identifier from
InChIKey
InChIKey
AATCBLYHOUOCTO-UHFFFAOYSA-N
Probes And Drugs ID
PD003545
0 references
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