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Compound Detail

CHEMBL4173494

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CO[C@H]1C[C@@H](n2c(=O)n(C)c3cnc4ccc(-c5ccc(OCCCN6CCOCC6)nc5)cc4c32)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4173494
Phase Preclinical
Structure Type MOL
InChI Key VPDXJJPDPZRHON-SZPZYZBQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

503.6
MW (Da)
3.40
ALogP
9
HBA
0
HBD
83.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H33N5O4
MW 503.60
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.96

Literature References

PubMed DOI Target Context # Activities
29683659 10.1021/acs.jmedchem.7b01896 No relevant target 3
29683659 10.1021/acs.jmedchem.7b01896 Serine-protein kinase ATM 1
29683659 10.1021/acs.jmedchem.7b01896 Serine/threonine-protein kinase ATR 1
29683659 10.1021/acs.jmedchem.7b01896 Hepatocyte 1

Data from ChEMBL 36 via Core Engine