CHR-3996
Category: | HDACi |
Cas Number: | N.A. |
Molecular Formula: | C20H19FN6O2 |
Molecular Weight: | 394.402263 g/mol |
Smiles: | C1C2C(C2NCC3=NC4=C(C=C3)C=C(C=C4)F)CN1C5=NC=C(C=N5)C(=O)NO |
Description: | CHR-3996 is a class I selective orally active histone deacetylase (HDAC) inhibitor with an IC50 of 8 nM. The Ki of CHR-3996 is 4.8 nM against HDAC. CHR-3996 shows excellent potency against the class I isoforms, HDAC1, HDAC2, and HDAC3, and good selectivity over HDAC5 and HDAC6 which are members of the class II family. |
synonyms: | |
Structure: | ![]() |
3D Conformer: | 3D View |
Downlaod: | Structure File Download (8.0KB) |
Target list
Id | Drug Name | Target | PubmedId | Co-crystal Complex |
1418 | CHR-3996 | Cytochrome P450 3A (Homo sapiens (human)) | 21080647 | |
1419 | CHR-3996 | Cytochrome P450 2D6 (Homo sapiens (human)) | 21080647 | |
1420 | CHR-3996 | Cytochrome P450 2C19 (Homo sapiens (human)) | 21080647 | |
1421 | CHR-3996 | Histone deacetylase 5 (HDAC5) (Homo sapiens (Human)) | 21080647 | |
1422 | CHR-3996 | Histone deacetylase 3 (Homo sapiens (human)) | 21080647 | |
1423 | CHR-3996 | Histone deacetylase (HDAC1 and HDAC2) (Homo sapiens (human)) | 21080647 | |
1424 | CHR-3996 | Histone deacetylase 1 (HDAC1) (Homo sapiens (human)) | 21080647 | |
1425 | CHR-3996 | Histone deacetylase (Homo sapiens (human)) | 21080647 |
Disease list
Conditions | Drug Name | Status | Nct Number | Phases |
Solid tumor | CHR-3996 | Completed | NCT00697879 | Phase 1 |
Myeloma | CHR-3996 | Preclinical study |
High-throughoutput Dataset
Title | Drug Name | Category | Sample type | PMID |
HDAC and aminopeptidase inhibitor treatment of myeloma cells | CHR-3996 | HDACi | H929 human myeloma cells |
Complex list
PDBId | Drug Name | Target | method | PubmedId |