UCN-01

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure
InChI Key PBCZSGKMGDDXIJ-KRUBCLEUSA-N
Smile CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N[C@H]4O
InChI
InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27+,28+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H26N4O4
Molecular Weight 482.54
AlogP 3.84
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 89.68
Molecular species BASE
Aromatic Rings 5.0
Heavy Atoms 36.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR 3-phosphoinositide dependent protein kinase-1 inhibitor PubMed PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKA family
- 42-250 - - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC alpha subfamily
- 4-62 - - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC delta subfamily
- 4-62 - - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC eta subfamily
- 4-62 - - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC iota subfamily
- 4-62 - - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase CHK1 subfamily
- 6-10 - - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PKD family
- 4-62 - - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RAD53 family
- 10 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- 30 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials
Peritoneal Neoplasms 2 D010534 ClinicalTrials
Fallopian Tube Neoplasms 2 D005185 ClinicalTrials
Kidney Neoplasms 2 D007680 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Lymphoma 2 D008223 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Prostatic Neoplasms 1 D011471 ClinicalTrials
Leukemia, Megakaryoblastic, Acute 1 D007947 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Carcinoma, Basal Cell 1 D002280 ClinicalTrials
Nasopharyngeal Neoplasms 1 D009303 ClinicalTrials
Triple Negative Breast Neoplasms 1 D064726 ClinicalTrials
Carcinoma, Verrucous 1 D018289 ClinicalTrials
Esthesioneuroblastoma, Olfactory 1 D018304 ClinicalTrials
Endometrial Neoplasms 1 D016889 ClinicalTrials
Gastrointestinal Stromal Tumors 1 D046152 ClinicalTrials
Leukemia, Erythroblastic, Acute 1 D004915 ClinicalTrials
Hypopharyngeal Neoplasms 1 D007012 ClinicalTrials
Stomach Neoplasms 1 D013274 ClinicalTrials
Anus Neoplasms 1 D001005 ClinicalTrials
Papilloma, Inverted 1 D018308 ClinicalTrials
Uterine Cervical Neoplasms 1 D002583 ClinicalTrials
Appendiceal Neoplasms 1 D001063 ClinicalTrials
Salivary Gland Neoplasms 1 D012468 ClinicalTrials
Gallbladder Neoplasms 1 D005706 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Esophageal Neoplasms 1 D004938 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 1 D064129 ClinicalTrials
Oropharyngeal Neoplasms 1 D009959 ClinicalTrials
Squamous Cell Carcinoma of Head and Neck 1 D000077195 ClinicalTrials
Granuloma, Lethal Midline 1 D006103 ClinicalTrials
Myelodysplastic Syndromes 1 D009190 ClinicalTrials
Leukemia, Biphenotypic, Acute 1 D015456 ClinicalTrials
Leukemia, Monocytic, Acute 1 D007948 ClinicalTrials
Leukemia, Myelomonocytic, Acute 1 D015479 ClinicalTrials
Leukemia, Promyelocytic, Acute 1 D015473 ClinicalTrials
Leukemia, Myelogenous, Chronic, BCR-ABL Positive 1 D015464 ClinicalTrials
Leukemia 1 D007938 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL574737
SureChEMBL SCHEMBL16946789
ZINC ZINC000033901069
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