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Compound Detail

CHEMBL466953

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c1cc2ncc(-c3ccc(OCCN4CCCCC4)cc3)cn2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL466953
Phase Preclinical
Structure Type MOL
InChI Key YHXVPMWPSFHODY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
3.26
ALogP
5
HBA
0
HBD
42.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N4O
MW 322.41
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.61

Literature References

PubMed DOI Target Context # Activities
18621530 10.1016/j.bmcl.2008.06.052 Bone morphogenetic protein 4 1

Data from ChEMBL 36 via Core Engine