Compound Detail
CHEMBL3981883
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C[C@@H]1[C@H](c2c(F)ccc(F)c2F)C[C@H](NC(=O)c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)N1CC(F)(F)F.Cl.Cl
Basic Information
| ChEMBL ID | CHEMBL3981883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFUTVMZETHKFJF-HBIVGVBDSA-N |
| Parent Compound | CHEMBL3991065 |
| Active Moiety | CHEMBL3991065 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
603.5
MW (Da)
3.95
ALogP
5
HBA
2
HBD
104.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 CHEMBL2107838 | Ki | 10.82 | 10.82 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 | Ki | = | 0.015 | nM | 10.82 | Displacement of [125I]hCGRP from human recombinant CGRP receptor expressed in HE... | - |
Data from ChEMBL 36 via Core Engine