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Compound Detail

CHEMBL4635892

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CC/C=C/c1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4635892
Phase Preclinical
Structure Type MOL
InChI Key CPWQKLYTIGAVKH-WEVVVXLNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

367.5
MW (Da)
2.57
ALogP
6
HBA
1
HBD
53.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H29N5O
MW 367.50
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
32410449 10.1021/acs.jmedchem.0c00075 No relevant target 1
32410449 10.1021/acs.jmedchem.0c00075 Bromodomain-containing protein 9 1
32410449 10.1021/acs.jmedchem.0c00075 Peregrin 1
32410449 10.1021/acs.jmedchem.0c00075 Bromodomain-containing protein 4 1

Data from ChEMBL 36 via Core Engine