Compound Detail
CHEMBL5803411
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[C-]#[N+]C1(c2cc(Nc3nc(NCC(F)(F)F)nc(-c4cccc(Cl)n4)n3)ccn2)CC1
Basic Information
| ChEMBL ID | CHEMBL5803411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJYPNTZBJZUSPV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
446.8
MW (Da)
4.61
ALogP
7
HBA
2
HBD
92.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Isocitrate dehydrogenase [NADP] cytoplasmic CHEMBL2007625 | IC50 | 7.12 | 7.12 | 75.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Isocitrate dehydrogenase [NADP] cytoplasmic | IC50 | = | 75.0 | nM | 7.12 | In Vitro Assays for IDH1m (R132H or R132C) Inhibitors: A test compound is prepar... | - |
| Isocitrate dehydrogenase [NADP] cytoplasmic | IC50 | = | 75.0 | nM | 7.12 | In Vitro Assays for IDH1m (R132H or R132C) Inhibitors: A test compound is prepar... | - |
Data from ChEMBL 36 via Core Engine