Compound Detail
CHEMBL4167360
IDH305 🧪 Phase II
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🧪 Phase II
Cc1cc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3[C@@H](C)F)n2)ncc1-c1ccnc(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL4167360 |
| Name | IDH305 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | DCGDPJCUIKLTDU-QWQRMKEZSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
Publications
1
Known Names
3
Indications
2
Mechanisms
Molecular Properties
490.5
MW (Da)
5.12
ALogP
7
HBA
1
HBD
93.1
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Unknown |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Isocitrate dehydrogenase [NADP] cytoplasmic inhibitor | INHIBITOR | Isocitrate dehydrogenase [NADP] cytoplasmic | ✓ | ✓ |
| Isocitrate dehydrogenase [NADP] cytoplasmic inhibitor | INHIBITOR | Isocitrate dehydrogenase [NADP] cytoplasmic | ✓ | ✓ |
Indications
Paraganglioma Leukemia, Myeloid, Acute Neoplasms
Activity Summary
IC50 2 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Isocitrate dehydrogenase [NADP] cytoplasmic CHEMBL2007625 | IC50 | 7.14 | 6.82 | 73.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 157.0 | mL.min-1.g-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Isocitrate dehydrogenase [NADP] cytoplasmic | IC50 | = | 73.0 | nM | 7.14 | Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate as su... | 29057061 |
| Isocitrate dehydrogenase [NADP] cytoplasmic | IC50 | = | 316.0 | nM | 6.5 | Inhibition of IDH1 R132H mutant in human HCT116 cells assessed as reduction in 2... | 29057061 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29057061 | 10.1021/acsmedchemlett.7b00342 | Isocitrate dehydrogenase [NADP] cytoplasmic | 2 |
| 29057061 | 10.1021/acsmedchemlett.7b00342 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine