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Compound Detail

CHEMBL4288244

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O=C(N1CCN(c2ncnc3[nH]cnc23)CC1)C1(c2ccc(Cl)cc2)CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4288244
Phase Preclinical
Structure Type MOL
InChI Key VZHFWVBUKKQXHI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

425.9
MW (Da)
1.98
ALogP
6
HBA
2
HBD
90.0
PSA (Ų)
0.67
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 C21H24ClN7O
MW 425.92
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.16

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