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Compound Detail

CHEMBL6005785

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O=C(O)CC[C@H](NC(=O)NCCCCCNC(=O)c1cncc(I)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6005785
Phase Preclinical
Structure Type MOL
InChI Key HFIHMGANUNMANC-ZDUSSCGKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

506.3
MW (Da)
1.20
ALogP
5
HBA
5
HBD
157.7
PSA (Ų)
0.21
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23IN4O6
MW 506.30
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.74

Activity Summary

Ki 1 meas. best 9.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate carboxypeptidase 2
CHEMBL1892
 Ki 9.46 9.46 0.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate carboxypeptidase 2 Ki = 0.35 nM 9.46 Fluorescence-Based Amplex Red Glutamic Acid Assay : The PSMA inhibitory activity... -

Data from ChEMBL 36 via Core Engine