General Information of the Compound
Compound ID
CP0064131
Compound Name
7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide
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Synonyms
1012054-59-9
1A7Y9MP123
7-((4-((3-ethynylphenyl)amino)-7-methoxyquinazolin-6-yl)oxy)-N-hydroxyheptanamide
7-((4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yl)oxy)-N-hydroxyheptanamide
7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide
7-({4-[(3-ethynylphenyl)amino]-7-methoxyquinazolin-6-yl}oxy)-N-hydroxyheptanamide
7-[[4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yl]oxy]-N-hydroxyheptanamide
AK174946
CHEMBL598797
CUDC 101
CUDC-101
CUDC101
PubChem19149
UNII-1A7Y9MP123
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Structure
Formula
C24H26N4O4
Molecular Weight
434.496
Canonical SMILES
COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO
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InChI
InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)
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InChIKey
PLIVFNIUGLLCEK-UHFFFAOYSA-N
CAS
1012054-59-9
Physicochemical Property
logP
4.198
Rotatable Bonds
11
Heavy Atom Count
32
Polar Areas
105.6
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
32

"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: 24756910
SID: 49660356
ChEMBL ID
CHEMBL598797
DrugBank ID
DB12174
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: PT01443, Polyamine deacetylase HDAC10
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 398.11 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 125.89 nM
Clinical Information about the Compound
Drug 1 ( CUDC-101 )
Drug Name CUDC-101
Company Curis
Indication
Solid tumour/cancer
Phase 1
Target(s)
Epidermal growth factor receptor (EGFR)
 Target Info 
Modulator
Erbb2 tyrosine kinase receptor (HER2)
 Target Info 
Modulator