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Compound Detail

CHEMBL3991253

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CNC1CCN(CCCN(c2cc(OC)cc(OC)c2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3991253
Phase Preclinical
Structure Type MOL
InChI Key KZQKVIAPRMQHBQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

501.6
MW (Da)
3.87
ALogP
9
HBA
1
HBD
80.6
PSA (Ų)
0.35
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 C28H35N7O2
MW 501.64
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.39

Data from ChEMBL 36 via Core Engine