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Compound Detail

CHEMBL1383943

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CC1CC(C)CN(CCCNC(=O)c2cc3c(O)nc4ccccc4c3n2C)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1383943
Phase Preclinical
Structure Type MOL
InChI Key HMTNZOGZNYHIEQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
3.53
ALogP
5
HBA
2
HBD
70.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30N4O2
MW 394.52
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.13

Activity Summary

IC50 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HEK293
CHEMBL614818
 IC50 4.7 4.7 19760.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HEK293 IC50 = 19760.0 nM 4.7 PUBCHEM_BIOASSAY: Fluorescence-based counterscreen for potentiators or agonists ... -

Data from ChEMBL 36 via Core Engine