Compound Detail
CHEMBL507597
CRAMBESCIDIN 816 HYDROCHLORIDE Enter ChEMBL ID:
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CC[C@H]1C=CCC[C@]2(C[C@H]3CC[C@]4(O)[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@@H](O)CCN)[C@@]5(CCC[C@@H](C)O5)NC(=[N+]34)N2)O1.[Cl-]
Basic Information
| ChEMBL ID | CHEMBL507597 |
| Name | CRAMBESCIDIN 816 HYDROCHLORIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXFOLILSFFXGKW-MLPNNRIMSA-N |
| Parent Compound | CHEMBL1187535 |
| Active Moiety | CHEMBL1187535 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
818.2
MW (Da)
5.44
ALogP
11
HBA
6
HBD
184.6
PSA (Ų)
0.03
QED
4
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L-type calcium channel CHEMBL3988632 | IC50 | 9.82 | 9.82 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L-type calcium channel | IC50 | = | 0.15 | nM | 9.82 | Antagonist activity at voltage-dependent L-type calcium channel in mouse neuroba... | 8377012 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8377012 | 10.1021/np50097a004 | Jejunum | 5 |
| 8377012 | 10.1021/np50097a004 | L-type calcium channel | 2 |
| 8377012 | 10.1021/np50097a004 | NON-PROTEIN TARGET | 1 |
| 8377012 | 10.1021/np50097a004 | Ileum | 1 |
| 8377012 | 10.1021/np50097a004 | Ephydatia fluviatilis | 1 |
| 8377012 | 10.1021/np50097a004 | Poecilia reticulata | 1 |
Data from ChEMBL 36 via Core Engine