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Compound Detail

CHEMBL1188542

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CC(=N)N1CCC(Oc2ccc(OCc3nc4cc(C(=N)N)ccc4n3CC(=O)NC(C)c3ccccc3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1188542
Phase Preclinical
Structure Type MOL
InChI Key BRSITPAOLUGYEZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

567.7
MW (Da)
4.62
ALogP
7
HBA
4
HBD
142.3
PSA (Ų)
0.16
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H37N7O3
MW 567.69
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -1.23

Data from ChEMBL 36 via Core Engine