Compound Detail
CHEMBL65267
RO-44-3888 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL65267 |
| Name | RO-44-3888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHOGTSLQMNCJHA-NSHDSACASA-N |
3
Targets
6
Activities
1
Assay Types
8
PK Parameters
12
Publications
2
Known Names
Molecular Properties
376.4
MW (Da)
0.18
ALogP
5
HBA
4
HBD
145.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Single Enantiomer |
Activity Summary
IC50 6 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 8.72 | 8.07 | 1.9 | 2 |
| Homo sapiens CHEMBL372 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.3 | 7.2533 | 50.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 26.0 | % | Rattus norvegicus |
| F | 25.0 | % | Canis lupus familiaris |
| F | 33.0 | % | Cercopithecidae |
| T1/2 | 4.1 | hr | Rattus norvegicus |
| T1/2 | 11.4 | hr | Canis lupus familiaris |
| T1/2 | 5.1 | hr | Cercopithecidae |
| T1/2 | 11.4 | hr | Canis lupus familiaris |
| T1/2 | 5.1 | hr | Macaca mulatta |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 | IC50 | = | 1.9 | nM | 8.72 | Inhibition of FG binding to alpha IIb beta-3 integrin | 8759635 |
| Homo sapiens | IC50 | = | 38.0 | nM | 7.42 | Inhibition of platelet aggregation in human platelet rich plasma(h-PRP) induced ... | 8759635 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 38.0 | nM | 7.42 | Inhibition of platelet aggregation in human platelet rich plasma | 10999999 |
| Unchecked | IC50 | = | 50.0 | nM | 7.3 | Inhibition of platelet aggregation in human-platelet rich plasma(h-PRP) induced ... | 1447740 |
| Unchecked | IC50 | = | 50.0 | nM | 7.3 | Inhibition of platelet aggregation in human-platelet rich plasma(h-PRP) induced ... | 1447740 |
| Unchecked | IC50 | = | 70.0 | nM | 7.16 | Inhibition of platelet aggregation in human-platelet rich plasma(h-PRP) induced ... | 1447740 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1447740 | 10.1021/jm00101a017 | Unchecked | 3 |
| 8759635 | 10.1021/jm9509298 | Homo sapiens | 2 |
| 8759635 | 10.1021/jm9509298 | Rattus norvegicus | 2 |
| 8759635 | 10.1021/jm9509298 | Canis familiaris | 2 |
| 8759635 | 10.1021/jm9509298 | ADMET | 2 |
| 1447740 | 10.1021/jm00101a017 | Integrin alpha-IIb/beta-3 | 1 |
| 1447740 | 10.1021/jm00101a017 | Integrin alpha-V/beta-3 | 1 |
| 8759635 | 10.1021/jm9509298 | Integrin alpha-IIb/beta-3 | 1 |
| 10999999 | 10.1021/jm000022w | Integrin alpha-IIb/beta-3 | 1 |
| 10999999 | 10.1021/jm000022w | Canis familiaris | 1 |
| 10999999 | 10.1021/jm000022w | Rhesus monkey | 1 |
| - | 10.1016/S0960-894X(96)00610-5 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine