General Information of the Compound
Compound ID
CP0145132
Compound Name
AZD7762
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Synonyms
(S)-5-(3-Fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide
3-(Carbamoylamino)-5-(3-Fluorophenyl)-N-[(3s)-Piperidin-3-Yl]thiophene-2-Carboxamide
5-(3-Fluorophenyl)-3-ureidothiophene-N-[(S)-piperidin-3-yl]-2-carboxamide
5-(3-Fluorophenyl)-N-[(3s)-3-Piperidyl]-3-Ureido-Thiophene-2-Carboxamide
5D822Y3L1H
860352-01-8
AOB1915
AZD 7762
AZD-7762
AZD7762
AZD7762 hydrochloride
CHEBI:131156
CHEMBL2041933
GTPL7713
IAYGCINLNONXHY-LBPRGKRZSA-N
J-502468
QCR-261
SCHEMBL1127614
UNII-5D822Y3L1H
YDJ
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Structure
Formula
C17H19FN4O2S
Molecular Weight
362.43
Canonical SMILES
NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1
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InChI
InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1
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InChIKey
IAYGCINLNONXHY-LBPRGKRZSA-N
CAS
860352-01-8
Physicochemical Property
logP
2.5266
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
96.25
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 11152667
SID: 16231456
ChEMBL ID
CHEMBL2041933
DrugBank ID
DB12242
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 15000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 15000 nM
Protein ID: PT00865, Serine/threonine-protein kinase Chk1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000007 HT-29
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 10 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
EC50 = 280 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 5 nM
2 IC50 = 6 nM
3 IC50 = 7.89 nM
Clinical Information about the Compound
Drug 1 ( AZD7762 )
Drug Name AZD7762
Company AstraZeneca
Indication
Solid tumour/cancer
Phase 1
Target(s)
Checkpoint kinase-1 (CHK1)
 Target Info 
Inhibitor