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Compound Detail

CHEMBL4875982

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Cn1ccc2cc(-c3nccn4c(-c5ccc6c(ccn6C)c5)cnc34)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4875982
Phase Preclinical
Structure Type MOL
InChI Key DJEVJKJTNXBEOS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
5.05
ALogP
5
HBA
0
HBD
40.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19N5
MW 377.45
Aromatic Rings 6
Heavy Atoms 29
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
33788562 10.1021/acs.jmedchem.0c01837 MCF7 1
33788562 10.1021/acs.jmedchem.0c01837 A549 1
33788562 10.1021/acs.jmedchem.0c01837 HeLa 1
33788562 10.1021/acs.jmedchem.0c01837 B16-F10 1

Data from ChEMBL 36 via Core Engine