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Compound Detail

CHEMBL113160

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CC(C)CN1CCN(C(=O)NCCCOc2ccc3[nH]c4nc(O)nc-4cc3c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL113160
Phase Preclinical
Structure Type MOL
InChI Key NFZPWESLZNNMSB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
2.52
ALogP
6
HBA
3
HBD
106.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30N6O3
MW 426.52
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -1.43

Data from ChEMBL 36 via Core Engine