5-(6-benzothiazolylmethylene)-3,5-dihydro-2-(((1S)-1-(methoxymethyl)-3-methylbutyl)amino)-4H-imidazol-4-one, (5Z)-
Highest phase reached
Phase 1
Drug type
Small molecule
- Listing at source
- Listed
- Highest phase reached
- Phase 1
- Drug type
- Small molecule
- Drug name
- 5-(6-benzothiazolylmethylene)-3,5-dihydro-2-(((1S)-1-(methoxymethyl)-3-methylbutyl)amino)-4H-imidazol-4-one, (5Z)-
- Molecular weight
- 358.47
- Structure (SMILES)
- COC[C@@H](CC(C)C)NC1=N/C(=C\c2ccc3ncsc3c2)C(=O)N1
- 5 6 benzothiazolylmethylene 3 5 dihydro 2 1s 1 methoxymethyl 3 methylbutyl amino 4h imidazol 4 one 5z
- 5-(6-benzothiazolylmethylene)-3,5-dihydro-2-(((1s)-1-(methoxymethyl)-3-methylbutyl)amino)-4h-imidazol-4-one, (5z)-
- leucettinib 21
- Leucettinib-21
- CAS registry numbers
- 2732859-77-5
- ChEMBL ID
- CHEMBL5426285
- InChIKey
- CHQYAWLKOUOTQO-QVYJARAXSA-N
- PubChem compound IDs
- 162346700
- FDA ingredient codes (UNII)
- F5A38P48PV
- First in class
- No
- Orphan designation
- No
- Condition identifier
- MONDO_0004975
- Highest recorded phase
- 1
- Condition identifier
- MONDO_0008608
- Highest recorded phase
- 1
- Hydrogen bond acceptors
- 6
- Hydrogen bond donors
- 2
- Polar surface area
- 75.61
- Calculated partition coefficient (ALogP)
- 2.77
- Calculated partition coefficient (XLogP)
- 3.2
- Prodrug
- No
- Chirality
- Single enantiomer
- Inorganic
- No
- Rule-of-five violations
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Molecular formula
- C18H22N4O2S
- Monoisotopic mass
- 358.14634713
- Natural product
- No
- Recorded assays
- 250
- Active assays
- 96
- Confirmatory
- Screening