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Compound Detail

CHEMBL1207367

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CC[C@@]12C=C(C(=O)O)n3c4c(c5ccccc53)CCN(CCC1)[C@@H]42
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207367
Phase Preclinical
Structure Type MOL
InChI Key ZFCQLDAGNBFMJQ-ICSRJNTNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
3.67
ALogP
3
HBA
1
HBD
45.5
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N2O2
MW 322.41
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.90

Literature References

PubMed DOI Target Context # Activities
22793155 10.1021/jm3007992 No relevant target 7

Data from ChEMBL 36 via Core Engine