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Compound Detail

CHEMBL344054

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O=C(O)C[C@H](NC(=O)CN1CCc2ccc(N3CCOCC3)cc2C1=O)c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL344054
Phase Preclinical
Structure Type MOL
InChI Key PSVAQBVQQVBYPQ-FQEVSTJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
1.25
ALogP
6
HBA
2
HBD
112.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N4O5
MW 438.48
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
8917647 10.1021/jm9604787 Homo sapiens 1

Data from ChEMBL 36 via Core Engine