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Compound Detail

CHEMBL2372434

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C[C@H](NC(=O)[C@H](Cc1ccccc1)C(=O)NO)C(=O)NCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2372434
Phase Preclinical
Structure Type MOL
InChI Key TVEFBZMKWNFKDH-ONGXEEELSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.3
MW (Da)
-0.94
ALogP
5
HBA
5
HBD
144.8
PSA (Ų)
0.24
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19N3O6
MW 337.33
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.11

Activity Summary

Ki 1 meas. best 6.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thermolysin
CHEMBL3392
 Ki 6.18 6.18 660.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thermolysin Ki = 660.69 nM 6.18 pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki ... 11931613

Literature References

PubMed DOI Target Context # Activities
11931613 10.1021/jm011039x Thermolysin 1

Data from ChEMBL 36 via Core Engine