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Compound Detail

CHEMBL4303470

GSK-923295A
Phase I
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Phase I
CC(C)Oc1ccc(C(=O)N[C@H](CNC(=O)CN(C)C)Cc2ccc(-c3cn4cccc([C@H](C)O)c4n3)cc2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4303470
Name GSK-923295A
Phase Phase I
Structure Type MOL
InChI Key WHMXDBPHBVLYRC-OFVILXPXSA-N

Known Names

GSK-295 GSK-923295 Gsk-923295a Gsk923295
4
Targets
25
Activities
2
Assay Types
1
PK Parameters
20
Publications
4
Known Names
1
Indications

Molecular Properties

592.1
MW (Da)
4.51
ALogP
7
HBA
3
HBD
108.2
PSA (Ų)
0.22
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Extended Properties

Molecular Formula C32H38ClN5O4
MW 592.14
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -1.37

Indications

Neoplasms

Activity Summary

Ki 13 meas. best 8.8
IC50 12 meas. best 8.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Centromere protein E
CHEMBL6066827
 Ki 8.8 8.8 1.6 1
Centromere-associated protein E
CHEMBL5870
 IC50 8.64 7.2583 2.3 12
Centromere-associated protein E
CHEMBL5870
 Ki 8.51 7.979 3.1 10
Unchecked
CHEMBL612545
 Ki 7.96 7.96 11.0 1
Centromere-associated protein E
CHEMBL6066183
 Ki 7.17 7.17 67.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 10.2 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Centromere protein E Ki = 1.6 nM 8.8 Binding affinity to wild-type dog CENP-E assessed as inhibition constant 20167803
Centromere-associated protein E IC50 = 2.3 nM 8.64 Inhibition of microtubule-stimulated ATPase activity of C-terminal 6-his-tagged ... 20167803
Centromere-associated protein E Ki = 3.1 nM 8.51 Uncompetitive binding affinity to microtubule-stimulated ATPase activity of C-te... 20167803
Centromere-associated protein E Ki = 3.2 nM 8.49 Uncompetitive binding affinity to C-terminal 6-his-tagged CENP-E (2 to 340 resid... 20167803
Centromere-associated protein E Ki = 3.2 nM 8.49 Binding affinity to wild-type human CENP-E assessed as inhibition constant 20167803
Centromere-associated protein E Ki = 3.2 nM 8.49 Affinity Biochemical interaction: (Enzyme inhibition assay) EUB0000734a CENPE -
Unchecked Ki = 11.0 nM 7.96 Binding affinity to human CENP-E T183A/K184T mutant assessed as inhibition const... 20167803
Centromere-associated protein E Ki = 12.0 nM 7.92 Binding affinity to human CENP-E K184T mutant assessed as inhibition constant 20167803
Centromere-associated protein E Ki = 13.0 nM 7.89 Binding affinity to human CENP-E T183A mutant assessed as inhibition constant 20167803
Centromere-associated protein E Ki = 14.0 nM 7.85 Binding affinity to human CENP-E I182L mutant assessed as inhibition constant 20167803
Centromere-associated protein E IC50 = 17.2 nM 7.76 Affinity Phenotypic Cellular interaction: (Growth inhibitory effect colon cancer... -
Centromere-associated protein E IC50 = 17.2 nM 7.76 Inhibition of CENP-E in human SW48 cells assessed as decrease in cell viability ... 22948716
Centromere-associated protein E Ki = 18.0 nM 7.75 Binding affinity to human CENP-E I182L/K184T mutant assessed as inhibition const... 20167803
Centromere-associated protein E IC50 = 42.0 nM 7.38 Inhibition of CENP-E in human SW620 cells expressing KRAS mutant assessed as dec... 22948716
Centromere-associated protein E IC50 = 42.0 nM 7.38 Affinity Phenotypic Cellular interaction: (Cell-growth inhibition assays (growth... -
Centromere-associated protein E IC50 = 51.9 nM 7.29 Inhibition of CENP-E in human HCT-116 cells expressing KRAS mutant assessed as d... 22948716
Centromere-associated protein E IC50 = 51.9 nM 7.29 Affinity Phenotypic Cellular interaction: (Cell-growth inhibition assays (growth... -
Centromere-associated protein E IC50 = 55.6 nM 7.25 Inhibition of CENP-E in human RKO cells expressing BRAF mutant assessed as decre... 22948716
Centromere-associated protein E IC50 = 55.6 nM 7.25 Affinity Phenotypic Cellular interaction: (Cell-growth inhibition assays (growth... -
Centromere-associated protein E Ki = 61.0 nM 7.21 Binding affinity to human CENP-E I182L/T183A mutant assessed as inhibition const... 20167803

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4689842 Fibroblast 430
- 10.6019/CHEMBL4689842 U2OS 429
- 10.6019/CHEMBL4689842 HEK-293T 428
- 10.6019/CHEMBL5444388 Centromere-associated protein E 241
20167803 10.1073/pnas.0915068107 Centromere-associated protein E 55
20167803 10.1073/pnas.0915068107 Unchecked 51
22948716 10.1002/ijc.27781 SK-N-FI 10
20167803 10.1073/pnas.0915068107 COLO 205 9
22948716 10.1002/ijc.27781 Centromere-associated protein E 8
22948716 10.1002/ijc.27781 NB-1691 8
20167803 10.1073/pnas.0915068107 MX1 6
20167803 10.1073/pnas.0915068107 NCI-H460 6
20167803 10.1073/pnas.0915068107 NCI-H1299 6
20167803 10.1073/pnas.0915068107 MCF7 6
20167803 10.1073/pnas.0915068107 A549 6
20167803 10.1073/pnas.0915068107 HT-29 6
20167803 10.1073/pnas.0915068107 Centromere protein E 5
20167803 10.1073/pnas.0915068107 HCT-116 5
20167803 10.1073/pnas.0915068107 SK-OV-3 5
20167803 10.1073/pnas.0915068107 MDA-MB-231 4

Data from ChEMBL 36 via Core Engine