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Compound Detail

CHEMBL168236

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CCCCCCCCCCCCCCCCNC(=O)OCC1C=CC(n2cc(C)c(=O)[nH]c2=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL168236
Phase Preclinical
Structure Type MOL
InChI Key SVAZUKGWJODVKZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

491.7
MW (Da)
5.51
ALogP
6
HBA
2
HBD
102.4
PSA (Ų)
0.21
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H45N3O5
MW 491.67
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness 0.23

Pharmacokinetic Data

Parameter Value Units Species
T1/2 24.0 hr Homo sapiens

Literature References

PubMed DOI Target Context # Activities
8385224 10.1021/jm00059a006 CEM-c113 2
8385224 10.1021/jm00059a006 Unchecked 1
8385224 10.1021/jm00059a006 Homo sapiens 1

Data from ChEMBL 36 via Core Engine