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Compound Detail

CHEMBL1205739

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CCCCC1=NC(Cl)=C(C(=O)OCC)C(C)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205739
Phase Preclinical
Structure Type MOL
InChI Key FEYGOAFKJUAKSS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

493.0
MW (Da)
5.34
ALogP
7
HBA
1
HBD
96.4
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29ClN6O2
MW 493.01
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.92

Data from ChEMBL 36 via Core Engine