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Compound Detail

CHEMBL521658

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CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCNCC3)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL521658
Phase Preclinical
Structure Type MOL
InChI Key NTPAYIOIMIUCMN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

425.5
MW (Da)
1.58
ALogP
10
HBA
3
HBD
137.1
PSA (Ų)
0.52
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 C21H27N7O3
MW 425.49
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.83

Data from ChEMBL 36 via Core Engine