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Compound Detail

CHEMBL1206588

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CCCCc1nc(Cl)c(C(=O)OC(OC(=O)C(C)(C)C)C(C)C)n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[nH]n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1206588
Phase Preclinical
Structure Type MOL
InChI Key AIVPIRWTOPDAEO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

632.2
MW (Da)
6.78
ALogP
10
HBA
1
HBD
129.8
PSA (Ų)
0.12
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H38ClN7O4
MW 632.16
Aromatic Rings 5
Heavy Atoms 45
NP-Likeness -0.89

Data from ChEMBL 36 via Core Engine