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Compound Detail

CHEMBL1181898

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N=C(N)N1CCc2ccc(OCC3(C(=O)O)CCN(c4ccncn4)CC3)cc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181898
Phase Preclinical
Structure Type MOL
InChI Key JWLSDQDQMONZNQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
1.48
ALogP
6
HBA
3
HBD
128.7
PSA (Ų)
0.50
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 C21H26N6O3
MW 410.48
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.78

Data from ChEMBL 36 via Core Engine