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Compound Detail

CHEMBL4557204

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COc1ccc2cncc(N3CCN(c4ccc5cnn(C)c5c4)CC3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4557204
Phase Preclinical
Structure Type MOL
InChI Key DPAQSDGKULVSIB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.5
MW (Da)
3.46
ALogP
6
HBA
0
HBD
46.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N5O
MW 373.46
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
32071678 10.1021/acsmedchemlett.9b00480 Unchecked 1

Data from ChEMBL 36 via Core Engine