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Compound Detail

CHEMBL4529557

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Cc1nnc2n1Cc1sc(C#Cc3cnn(-c4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c3)c(Cc3ccccc3)c1OC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4529557
Phase Preclinical
Structure Type MOL
InChI Key UAUSLJURIDWQMO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

643.7
MW (Da)
3.17
ALogP
11
HBA
1
HBD
141.3
PSA (Ų)
0.23
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H25N7O5S
MW 643.69
Aromatic Rings 5
Heavy Atoms 47
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
30019901 10.1021/acs.jmedchem.8b00506 MV4-11 1
30019901 10.1021/acs.jmedchem.8b00506 MOLM-13 1
30019901 10.1021/acs.jmedchem.8b00506 RS4-11 1
30019901 10.1021/acs.jmedchem.8b00506 Protein cereblon/Cullin-4A/Bromodomain-containing protein 2 1
30019901 10.1021/acs.jmedchem.8b00506 Protein cereblon/Cullin-4A/Bromodomain-containing protein 3 1
30019901 10.1021/acs.jmedchem.8b00506 Protein cereblon/Cullin-4A/Bromodomain-containing protein 4 1

Data from ChEMBL 36 via Core Engine