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Compound Detail

CHEMBL5612388

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CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1CCCN(c2cc(C#N)ccn2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5612388
Phase Preclinical
Structure Type MOL
InChI Key QDINYOXBPFSXJU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

490.7
MW (Da)
5.39
ALogP
5
HBA
2
HBD
84.3
PSA (Ų)
0.46
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H42N6O
MW 490.70
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -2.06

Literature References

PubMed DOI Target Context # Activities
39255403 10.1021/acs.jmedchem.4c01096 NCI-H460 2

Data from ChEMBL 36 via Core Engine