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Compound Detail

CHEMBL4295080

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O=C(N1CCN(c2ncnc3ccccc23)CC1)C1(c2ccc(Cl)cc2)CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4295080
Phase Preclinical
Structure Type MOL
InChI Key WQFPVHSRGVTVEA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

436.0
MW (Da)
3.25
ALogP
5
HBA
1
HBD
61.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26ClN5O
MW 435.96
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
30151089 10.1039/C8MD00197A RAC-alpha serine/threonine-protein kinase 1
30151089 10.1039/C8MD00197A PC-3 1

Data from ChEMBL 36 via Core Engine