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Compound Detail

CHEMBL5571811

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Cc1nc(-c2ccc3c(c2)OCCO3)ccc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5571811
Phase Preclinical
Structure Type MOL
InChI Key FQILOJBCOSATOY-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

474.5
MW (Da)
3.37
ALogP
10
HBA
1
HBD
105.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26N6O4
MW 474.52
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.09

Activity Summary

IC50 1 meas.

Pharmacokinetic Data

Parameter Value Units Species
CL 4.3 mL.min-1.g-1 Homo sapiens

Literature References

PubMed DOI Target Context # Activities
38117951 10.1021/acs.jmedchem.3c01338 DNA-dependent protein kinase catalytic subunit 3
38117951 10.1021/acs.jmedchem.3c01338 HCT-116 1
38117951 10.1021/acs.jmedchem.3c01338 ADMET 1

Data from ChEMBL 36 via Core Engine