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Compound Detail

CHEMBL5222106

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CC(C)NC[C@@H](C(=O)N1C2CCC1CN(c1ncnc3c1N(C)CC(=O)N3)C2)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5222106
Phase Preclinical
Structure Type MOL
InChI Key XXRGZDXOOCOHFK-SOAGJPPSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

498.0
MW (Da)
2.48
ALogP
7
HBA
2
HBD
93.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32ClN7O2
MW 498.03
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.73

Data from ChEMBL 36 via Core Engine