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Compound Detail

CHEMBL320112

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CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc2c(c1)CCCC2)[C@H](O)C(=O)NO)C(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL320112
Phase Preclinical
Structure Type MOL
InChI Key GDLYGJDILGTRFL-FGTMMUONSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
0.87
ALogP
5
HBA
5
HBD
127.8
PSA (Ų)
0.33
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 C22H33N3O5
MW 419.52
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 0.38

Literature References

PubMed DOI Target Context # Activities
10560745 10.1016/s0960-894x(99)00552-1 Low affinity immunoglobulin epsilon Fc receptor 1
10560745 10.1016/s0960-894x(99)00552-1 Interstitial collagenase 1

Data from ChEMBL 36 via Core Engine