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Compound Detail

CHEMBL413073

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CCCCCCP(=O)(O)OC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL413073
Phase Preclinical
Structure Type MOL
InChI Key KTOWNQPJNAMSSU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

479.6
MW (Da)
4.14
ALogP
4
HBA
4
HBD
120.5
PSA (Ų)
0.24
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H38N3O5P
MW 479.56
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.11

Activity Summary

Ki 1 meas. best 5.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thermolysin
CHEMBL3392
 Ki 5.84 5.84 1445.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thermolysin Ki = 1445.44 nM 5.84 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