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Compound Detail

CHEMBL2372512

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CC[C@H](C)[C@H](NP(=O)(O)O)C(=O)N[C@@H](C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2372512
Phase Preclinical
Structure Type MOL
InChI Key BIOSNRSPRYKFCL-ACZMJKKPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

282.2
MW (Da)
-0.33
ALogP
3
HBA
5
HBD
136.0
PSA (Ų)
0.40
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 C9H19N2O6P
MW 282.23
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 0.40

Activity Summary

Ki 1 meas. best 6.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thermolysin
CHEMBL3392
 Ki 6.44 6.44 363.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thermolysin Ki = 363.08 nM 6.44 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