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Compound Detail

CHEMBL4649901

BLEOMYCIN A2
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Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1.[Br-]

Basic Information

ChEMBL ID CHEMBL4649901
Name BLEOMYCIN A2
Phase Preclinical
Structure Type MOL
InChI Key SMTAKYAVPSGWEV-OYALTWQYSA-N
Parent Compound CHEMBL403664
Active Moiety CHEMBL403664
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

1415.6
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C55H84BrN17O21S3
MW 1495.48

Activity Summary

IC50 1 meas. best 6.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL4074
IC50 6.23 6.23 588.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 588.0 nM 6.23 DRUGMATRIX: Peptidase, Angiotensin Converting Enzyme enzyme inhibition (substrat... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 408
2433447 10.1021/jm00384a003 B16 2
- 10.1016/S0960-894X(00)80449-7 Nucleic Acid 2
- 10.1016/S0960-894X(00)80449-7 Unchecked 1

Data from ChEMBL 36 via Core Engine