Compound Detail
CHEMBL2043437
GLASDEGIB 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL2043437 |
| Name | GLASDEGIB |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | SFNSLLSYNZWZQG-VQIMIIECSA-N |
| Therapeutic | ✓ Yes |
1
Targets
1
Activities
1
Assay Types
17
PK Parameters
19
Publications
3
Known Names
7
Indications
1
Mechanisms
Molecular Properties
374.4
MW (Da)
3.39
ALogP
4
HBA
3
HBD
96.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2018 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Smoothened homolog antagonist | ANTAGONIST | Protein smoothened | ✓ | ✓ |
Indications
Neoplasms Neoplasms Leukemia, Myeloid, Acute Sarcoma Bronchiolitis Obliterans Syndrome Glioblastoma Myelodysplastic Syndromes
ATC Classification
L01XJ03
glasdegib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein smoothened CHEMBL6080 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 0.0198 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.0128 | mL.min-1.kg-1 | Homo sapiens |
| CL | 67.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 14.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 6.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 3.9 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 31.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 68.0 | % | Canis lupus familiaris |
| F | 33.0 | % | Rattus norvegicus |
| Fu | 0.109 | - | Rattus norvegicus |
| Fu | 0.141 | - | Canis lupus familiaris |
| Fu | 0.091 | - | Homo sapiens |
| Fu | 0.57 | - | Rattus norvegicus |
| Fu | 0.54 | - | Canis lupus familiaris |
| Fu | 0.61 | - | Homo sapiens |
| T1/2 | 1.4 | hr | Rattus norvegicus |
| T1/2 | 2.9 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein smoothened | IC50 | = | 5.0 | nM | 8.3 | Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed ... | 24900436 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900436 | 10.1021/ml2002423 | ADMET | 7 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 24900436 | 10.1021/ml2002423 | Canis familiaris | 4 |
| 24900436 | 10.1021/ml2002423 | Rattus norvegicus | 4 |
| 24900436 | 10.1021/ml2002423 | Plasma | 3 |
| 24900436 | 10.1021/ml2002423 | Protein smoothened | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| 24900436 | 10.1021/ml2002423 | Caco-2 | 2 |
| 24900436 | 10.1021/ml2002423 | No relevant target | 2 |
| 24900436 | 10.1021/ml2002423 | Liver microsomes | 2 |
| 24900436 | 10.1021/ml2002423 | Cytochrome P450 2D6 | 1 |
| 24900436 | 10.1021/ml2002423 | Cytochrome P450 3A4 | 1 |
| 24900436 | 10.1021/ml2002423 | Cytochrome P450 2C19 | 1 |
| 24900436 | 10.1021/ml2002423 | Salmonella typhimurium | 1 |
| 24900436 | 10.1021/ml2002423 | Cytochrome P450 2C9 | 1 |
| 24900436 | 10.1021/ml2002423 | Cytochrome P450 2C8 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 24900436 | 10.1021/ml2002423 | Cytochrome P450 1A2 | 1 |
Data from ChEMBL 36 via Core Engine