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Compound Detail

CHEMBL5505923

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C=CC(=O)N(C)[C@H]1C[C@H](Oc2nc(-c3cnn(C)c3)cn3nccc23)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5505923
Phase Preclinical
Structure Type MOL
InChI Key JLDAHVDBMNCNIE-HDJSIYSDSA-N
0
Targets
0
Activities
0
Assay Types
3
PK Parameters
4
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
1.68
ALogP
7
HBA
0
HBD
77.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N6O2
MW 352.40
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.27

Pharmacokinetic Data

Parameter Value Units Species
CL 64.0 mL.min-1.kg-1 Rattus norvegicus
CL 12.0 mL.min-1.kg-1 Homo sapiens
T1/2 3.47 hr -

Literature References

PubMed DOI Target Context # Activities
38712838 10.1021/acs.jmedchem.4c00220 ADMET 6
38712838 10.1021/acs.jmedchem.4c00220 Tyrosine-protein kinase BTK 1
38712838 10.1021/acs.jmedchem.4c00220 Unchecked 1
38712838 10.1021/acs.jmedchem.4c00220 TMD8 1

Data from ChEMBL 36 via Core Engine