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Compound Detail

CHEMBL5860336

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O=C(O)CC[C@H](NC(=O)NC(CCCCn1cc(CCCF)nn1)C(=O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5860336
Phase Preclinical
Structure Type MOL
InChI Key JFQRYGBLHYPOGN-ABLWVSNPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

431.4
MW (Da)
0.42
ALogP
7
HBA
5
HBD
183.7
PSA (Ų)
0.25
QED
0
Ro5 Violations
15
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H26FN5O7
MW 431.42
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -0.81

Activity Summary

Ki 1 meas. best 8.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate carboxypeptidase 2
CHEMBL1892
 Ki 8.18 8.18 6.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate carboxypeptidase 2 Ki = 6.6 nM 8.18 Enzymatic Assay for In Vitro Evaluation of PSMA Inhibitors: The inhibitory activ... -

Data from ChEMBL 36 via Core Engine