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Compound Detail

CHEMBL4549643

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C=CC(=O)N1CCN(c2ncnc3c2CCN(c2c(C)ccc4[nH]ncc24)C3)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4549643
Phase Preclinical
Structure Type MOL
InChI Key YPUTZWWHKAMVGK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
2.06
ALogP
6
HBA
1
HBD
81.2
PSA (Ų)
0.67
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 C22H25N7O
MW 403.49
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
30613331 10.1021/acsmedchemlett.8b00382 GTPase KRas 2

Data from ChEMBL 36 via Core Engine