Compound Detail
CHEMBL1770916
NIROGACESTAT 💊 Approved Drug
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💊 Approved Drug
CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CNCC(C)(C)C)cn1
Basic Information
| ChEMBL ID | CHEMBL1770916 |
| Name | NIROGACESTAT |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | VFCRKLWBYMDAED-REWPJTCUSA-N |
| Therapeutic | ✓ Yes |
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
11
Publications
5
Known Names
7
Indications
1
Mechanisms
Molecular Properties
489.7
MW (Da)
4.79
ALogP
5
HBA
3
HBD
71.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2023 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Gamma-secretase inhibitor | INHIBITOR | Gamma-secretase | ✓ | ✓ |
Indications
Desmoid Tumors Neoplasms Breast Neoplasms Breast Neoplasms Fibroma Multiple Myeloma Pancreatic Neoplasms
ATC Classification
L01XX81
nirogacestat
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS
Activity Summary
IC50 7 meas. best 8.92
EC50 1 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase CHEMBL2094135 | IC50 | 8.92 | 8.39 | 1.2 | 5 |
| Gamma-secretase-activating protein CHEMBL3638343 | IC50 | 8.21 | 8.21 | 6.2 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.21 | 8.21 | 6.2 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.74 | 5.74 | 1830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase | IC50 | = | 1.2 | nM | 8.92 | Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant as... | 21269827 |
| Gamma-secretase | IC50 | = | 1.3 | nM | 8.89 | Inhibition of human gamma-secretase by cell based assay | 29477076 |
| Gamma-secretase | IC50 | = | 6.2 | nM | 8.21 | Inhibition of human gamma-secretase | 29477076 |
| Gamma-secretase | IC50 | = | 6.2 | nM | 8.21 | Inhibition of gamma secretase isolated from human HeLa cell derived P2 membrane ... | 27045975 |
| Gamma-secretase-activating protein | IC50 | = | 6.2 | nM | 8.21 | Inhibition of human gamma secretase by western blot assay | 33650861 |
| Unchecked | IC50 | = | 6.2 | nM | 8.21 | Inhibition of Gamma secretase (unknown origin) | 38183778 |
| Gamma-secretase | IC50 | = | 19.15 | nM | 7.72 | Inhibition of gamma-secretase (unknown origin) assessed as reduction in notch si... | 29477076 |
| Unchecked | EC50 | = | 1830.0 | nM | 5.74 | Effect on gamma secretase-mediated notch processing in C57BL/6 mouse fetal thymi... | 21269827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29477076 | 10.1016/j.ejmech.2018.02.035 | Gamma-secretase | 4 |
| 21269827 | 10.1016/j.bmcl.2010.12.118 | Unchecked | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 21269827 | 10.1016/j.bmcl.2010.12.118 | Gamma-secretase | 1 |
| 21269827 | 10.1016/j.bmcl.2010.12.118 | Cavia porcellus | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 27045975 | 10.1021/acs.jmedchem.5b01516 | Gamma-secretase | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 33650861 | 10.1021/acs.jmedchem.0c01180 | Gamma-secretase-activating protein | 1 |
| 38183778 | 10.1016/j.ejmech.2024.116124 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine