Atabecestat
Highest phase reached
Phase 2
Drug type
Small molecule
- Listing at source
- Listed
- Highest phase reached
- Phase 2
- Drug type
- Small molecule
- Drug name
- Atabecestat
- Molecular weight
- 367.41
- Structure (SMILES)
- C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)C=CSC(N)=N1
- atabecestat
- Atabecestat
- ATABECESTAT
- atabecestat [INN]
- ATABECESTAT [USAN]
- atabecestat inn
- atabecestat usan
- jnj 54861911
- jnj 54861911 aaa
- Jnj-54861911
- JNJ-54861911
- JNJ-54861911 (100 mg)
- JNJ-54861911 (25 mg)
- JNJ-54861911 (50 mg)
- JNJ-54861911 (Treatment A)
- JNJ-54861911 (Treatment B)
- JNJ-54861911 (Treatment C)
- JNJ-54861911 10 mg
- JNJ-54861911 160 mg
- JNJ-54861911 1mg
- JNJ-54861911 25 mg
- JNJ-54861911 27 mg
- JNJ-54861911 3 mg
- JNJ-54861911 30 mg
- JNJ-54861911 50 mg
And 10 more, listed on the interactive page.
- CAS registry numbers
- 1200493-78-2
- ChEMBL ID
- CHEMBL3916243
- InChIKey
- VLLFGVHGKLDDLW-SFHVURJKSA-N
- PubChem compound IDs
- 68254185
- FDA ingredient codes (UNII)
- 2834W8D6GK
- First in class
- No
- Orphan designation
- No
- Pharmacology name
- atabecestat
- Type
- Synthetic organic
- Drug name stem
- -stat
- Action
- Inhibition
- Action type
- Inhibitor
- Target
- beta-secretase 1
- Gene symbol
- BACE1
- Protein identifier
- P56817
- Median affinity
- 8.01
- Affinity units
- pIC50
- Action
- Inhibition
- Action type
- Inhibitor
- Target
- beta-secretase 2
- Gene symbol
- BACE2
- Protein identifier
- Q9Y5Z0
- Median affinity
- 8.02
- Affinity units
- pKi
- Mechanism
- Beta-secretase 1 inhibitor
- Action type
- Inhibitor
- Target
- Beta-secretase 1
- Protein identifier
- P56817
Open Targets mechanisms
- Mechanism
- Beta-secretase 1 inhibitor
- Action type
- Inhibitor
- Target
- Beta-secretase 1
Investigated indications
- Condition
- Alzheimer Disease
- Highest recorded phase
- 2
- Condition identifier
- MONDO:0004975
- Subject identifier
- D000544
- Condition identifier
- MONDO_0004975
- Condition identifier
- MONDO_0004975
- Highest recorded phase
- 2
- NCT01978548
- NCT02260674
- NCT02360657
- NCT02406027
- NCT03587376
- Hydrogen bond acceptors
- 6
- Hydrogen bond donors
- 2
- Polar surface area
- 104.16
- Calculated partition coefficient (ALogP)
- 3.14
- Calculated partition coefficient (XLogP)
- 2
- Prodrug
- No
- Chirality
- Single enantiomer
- Inorganic
- No
- Rule-of-five violations
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Molecular formula
- C18H14FN5OS
- Monoisotopic mass
- 367.09030942
- Natural product
- No
- Recorded assays
- 127
- Active assays
- 22
Active assay types
- Confirmatory
These details could not be displayed.
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In development for (1)
- Alzheimer disease Phase 2
Targets (1)
- BACE1 Beta-secretase 1 inhibitor