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Compound Detail

CHEMBL2325719

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Cc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)cc(C2(S(C)(=O)=O)CC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2325719
Phase Preclinical
Structure Type MOL
InChI Key OCJGFBNNPTYFNE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
2.80
ALogP
6
HBA
1
HBD
88.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N4O3S
MW 412.52
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.91

Pharmacokinetic Data

Parameter Value Units Species
CL 5.75 mL.min-1.g-1 Homo sapiens

Literature References

PubMed DOI Target Context # Activities
23394205 10.1021/jm301859s Serine/threonine-protein kinase ATR 2
- 10.6019/CHEMBL3301361 No relevant target 2
23394205 10.1021/jm301859s No relevant target 1
- 10.6019/CHEMBL3301361 ADMET 1

Data from ChEMBL 36 via Core Engine