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Compound Detail

CHEMBL3182177

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CN1CCN(c2cc(NC(=O)c3ccccc3)ncn2)CC1.O=CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3182177
Phase Preclinical
Structure Type MOL
InChI Key QPTAFJKLMZFZHA-UHFFFAOYSA-N
Parent Compound CHEMBL3303118
Active Moiety CHEMBL3303118
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

297.4
MW (Da)
1.48
ALogP
5
HBA
1
HBD
61.4
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21N5O3
MW 343.39
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.88

Data from ChEMBL 36 via Core Engine