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Compound Detail

CHEMBL5876615

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CC(C)Nc1nc(NC2CCCCC2)nc(-c2ccncc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5876615
Phase Preclinical
Structure Type MOL
InChI Key HPPXGECUTHERSC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
3.50
ALogP
6
HBA
2
HBD
75.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H24N6
MW 312.42
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.14

Activity Summary

IC50 1 meas. best 7.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.12 7.12 75.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 75.0 nM 7.12 In Vitro Assays for IDH1m (R132H or R132C) Inhibitors: In the primary reaction, ... -

Data from ChEMBL 36 via Core Engine