Molecule Details
InChIKeyVFCRKLWBYMDAED-REWPJTCUSA-N
Compound NameNirogacestat
Canonical SMILESCCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CNCC(C)(C)C)cn1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)7
Pfam Stratification Cross-Family
Avg pChEMBL8.21
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB12005
Drug NameNirogacestat
CAS Number1290543-63-3
Groups approved investigational
ATC Codes L01XX81
DescriptionNirogacestat is a small-molecule gamma-secretase inhibitor that was investigated as a potential treatment for desmoid tumors. Desmoid tumors are typically characterized by aberrant activation in Notch signaling.[A262556] Interaction between the notch receptors and their ligands activates proteolytic...

Categories: Amino Acids Amino Acids, Branched-Chain Amino Acids, Peptides, and Proteins Amyloid Precursor Protein Secretases, antagonists & inhibitors Antineoplastic Agents Antineoplastic and Immunomodulating Agents Cytochrome P-450 CYP2B6 Inducers Cytochrome P-450 CYP2B6 Inducers (strength unknown) Cytochrome P-450 CYP2C19 Inducers Cytochrome P-450 CYP2C19 Inducers (strength unknown) Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C8 Inducers Cytochrome P-450 CYP2C8 Inducers (strength unknown) Cytochrome P-450 CYP2C9 Inducers Cytochrome P-450 CYP2C9 Inducers (strength unknown) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Substrates Enzyme Inhibitors Gamma Secretase Inhibitor Gamma Secretase Inhibitors and Modulators P-glycoprotein inhibitors P-glycoprotein substrates
Cross-references: BindingDB: 50458159 CHEMBL1770916 ChemSpider: 26232306 PDB: O6U PubChem:46224413 PubChem:347828323 RxCUI: 2670631 Wikipedia: Nirogacestat ZINC: ZINC000038217837
Target Activities (7)
Target Gene Organism Category Pfam pChEMBL Type Source
A4D1B5 GSAP Homo sapiens Human PF14959 8.2 IC50 ChEMBL;BindingDB
P49768 PSEN1 Homo sapiens Human PF01080 8.2 IC50 ChEMBL;BindingDB
P49810 PSEN2 Homo sapiens Human PF01080 8.2 IC50 ChEMBL
Q8WW43 APH1B Homo sapiens Human PF06105 8.2 IC50 ChEMBL
Q92542 NCSTN Homo sapiens Human PF18266 PF05450 8.2 IC50 ChEMBL
Q96BI3 APH1A Homo sapiens Human PF06105 8.2 IC50 ChEMBL
Q9NZ42 PSENEN Homo sapiens Human PF10251 8.2 IC50 ChEMBL
DrugBank Target Actions (18)
Target Gene Target Name Action Type
P02763 P02763 alpha1-acid glycoprotein binder carriers
P02768 ALB Albumin binder carriers
P10632 CYP2C8 Cytochrome P450 2C8 inducer enzymes
P11712 CYP2C9 Cytochrome P450 2C9 inducer enzymes
P20813 CYP2B6 Cytochrome P450 2B6 inducer enzymes
P33261 CYP2C19 Cytochrome P450 2C19 inducer enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P10635 CYP2D6 Cytochrome P450 2D6 substrate enzymes
P11712 CYP2C9 Cytochrome P450 2C9 substrate enzymes
P33261 CYP2C19 Cytochrome P450 2C19 substrate enzymes
P49768 PSEN1 Presenilin-1 inhibitor targets
P49810 PSEN2 Presenilin-2 inhibitor targets
Q8WW43 APH1B Gamma-secretase subunit APH-1B modulator targets
Q92542 NCSTN Nicastrin modulator targets
Q96BI3 APH1A Gamma-secretase subunit APH-1A modulator targets
Q9NZ42 PSENEN Gamma-secretase subunit PEN-2 modulator targets
P08183 ABCB1 ATP-dependent translocase ABCB1 inhibitor transporters
P08183 ABCB1 ATP-dependent translocase ABCB1 substrate transporters