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Compound Detail

CHEMBL5994140

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O=C(O)CC[C@H](NC(=O)NCCSCc1ccc(I)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5994140
Phase Preclinical
Structure Type MOL
InChI Key IZMSXSFDVSUCIT-LBPRGKRZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

466.3
MW (Da)
2.14
ALogP
4
HBA
4
HBD
115.7
PSA (Ų)
0.31
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19IN2O5S
MW 466.30
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.14

Activity Summary

Ki 1 meas. best 10.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate carboxypeptidase 2
CHEMBL1892
 Ki 10.52 10.52 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate carboxypeptidase 2 Ki = 0.03 nM 10.52 Fluorescence-Based Amplex Red Glutamic Acid Assay : The PSMA inhibitory activity... -

Data from ChEMBL 36 via Core Engine