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Compound Detail

CHEMBL3952343

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O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1ncccc1Cl)[C@H]1CCCNC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3952343
Phase Preclinical
Structure Type MOL
InChI Key FDTXHWQFIXYHCL-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

433.9
MW (Da)
3.26
ALogP
7
HBA
1
HBD
88.8
PSA (Ų)
0.53
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 C22H20ClN7O
MW 433.90
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.69

Literature References

PubMed DOI Target Context # Activities
29878763 10.1021/acs.jmedchem.8b00650 80S Ribosome 2
29878763 10.1021/acs.jmedchem.8b00650 Rattus norvegicus 2
29878763 10.1021/acs.jmedchem.8b00650 Bone marrow cell 1

Data from ChEMBL 36 via Core Engine