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Compound Detail

CHEMBL536270

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Cl.O=C(c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL536270
Phase Preclinical
Structure Type MOL
InChI Key DFPIYZSLARFZPA-YPFLJBJZSA-N
Parent Compound CHEMBL1188383
Active Moiety CHEMBL1188383
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
2.78
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27ClN2O2
MW 362.90
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.10

Literature References

PubMed DOI Target Context # Activities
15482928 10.1016/j.bmcl.2004.08.057 Unchecked 1

Data from ChEMBL 36 via Core Engine