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Compound Detail

CHEMBL1178202

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CC1CN(C(=O)N2Cc3c(C(=O)OC(C)(C)C)ncn3-c3ccc(Cl)cc32)C(C)CN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178202
Phase Preclinical
Structure Type MOL
InChI Key GAQHMGYYEGQCRH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

445.9
MW (Da)
3.60
ALogP
6
HBA
1
HBD
79.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28ClN5O3
MW 445.95
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.34

Data from ChEMBL 36 via Core Engine