Compound Detail
CHEMBL4562991
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CC1(C)CC[C@]2(C(=O)NO)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Basic Information
| ChEMBL ID | CHEMBL4562991 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKMSXLUUAQITFR-DBWGAYEVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
485.7
MW (Da)
5.83
ALogP
4
HBA
3
HBD
86.6
PSA (Ų)
0.32
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxia-inducible factor prolyl hydroxylase CHEMBL3831261 | EC50 | 4.94 | 4.94 | 11400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxia-inducible factor prolyl hydroxylase | EC50 | = | 11400.0 | nM | 4.94 | Inhibition of PHD (unknown origin) expressed in mouse NIH/3T3 cells harboring HR... | 30350996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30350996 | 10.1021/acs.jnatprod.8b00514 | Hypoxia-inducible factor prolyl hydroxylase | 2 |
Data from ChEMBL 36 via Core Engine